SCHEMBL1804516

SCHEMBL1804516

O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 1.00
PIK3CA P42336 1/20 1.00
PIK3CG P48736 1/20 1.00
NPC1 O15118 1/20 1.00
GSK3B P49841 2/20 0.68
PIM1 P11309 11/20 0.58
PIM2 Q9P1W9 11/20 0.58
IGF1R P08069 1/20 0.56
PIM3 Q86V86 1/20 0.55
AKR1B1 P15121 3/20 0.54
HPGD P15428 2/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CISD1 Q9NZ45 3/20 0.54
TTR P02766 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29676493 1.00 RAB9A (1.00) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL2884586 1.00 RAB9A (1.00) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL29366360 1.00 RAB9A (1.00) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL1804517 1.00 RAB9A (1.00) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL1804519 0.82 PIK3CA (0.70) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL497276 0.81 NPC1 (0.67) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL497277 0.81 NPC1 (0.67) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL1249098 0.81 GSK3B (0.83) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL2882197 0.81 GSK3B (0.83) RAB9APIK3CAPIK3CGNPC1GSK3B
SCHEMBL6796814 0.81 GSK3B (1.00) RAB9APIK3CAPIK3CGNPC1GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 230 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4732908-A2 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS Biomed Valley Discoveries, Inc. (US) 2026-04-29 EP claimed
EP-4043017-B1 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2026-01-28 EP claimed
EP-3082423-B1 CANCER TREATMENTS USING COMBINATIONS OF CDK AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2024-12-11 EP claimed
US-20240358708-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING LYMPHOID MALIGNANCY Diacovo, Thomas (US) 2024-10-31 US claimed
EP-4389225-A2 CANCER TREATMENTS USING COMBINATIONS OF TYPE 2 MEK AND ERK INHIBITORS Biomed Valley Discoveries, Inc. (US) 2024-06-26 EP claimed
EP-3082779-B1 CANCER TREATMENTS USING COMBINATIONS OF TYPE 2 MEK AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2023-06-07 EP claimed
EP-4062917-A1 CANCER TREATMENTS USING COMBINATIONS OF PI3K/AKT PATHWAY AND ERK INHIBITORS Biomed Valley Discoveries, Inc. (US) 2022-09-28 EP claimed
US-11304939-B2 Methods for treating oral cancers CHANG GUNG UNIVERSITY (TW) 2022-04-19 US claimed
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US claimed
EP-3082957-B1 CANCER TREATMENTS USING COMBINATIONS OF PI3K/AKT PATHWAY AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2022-04-06 EP claimed
WO-2015095834-A2 CANCER TREATMENTS USING ERK1/2 AND BCL-2 FAMILY INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095819-A2 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095807-A1 CANCER TREATMENTS USING COMBINATIONS OF EGFR AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095842-A2 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095825-A1 CANCER TREATMENTS USING COMBINATIONS OF TYPE 2 MEK AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095829-A1 CANCER TREATMENTS USING COMBINATIONS OF PI3K/AKT PATHWAY AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095838-A2 CANCER TREATMENTS USING COMBINATIONS OF MEK TYPE I AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
WO-2015095840-A1 CANCER TREATMENTS USING COMBINATIONS OF CDK AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO claimed
US-20120231015-A1 FRAGILE X MENTAL RETARDATION PROTEIN (FMRP), COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-09-13 US claimed
WO-2011056930-A2 FRAGILE X MENTAL RETARDATION PROTEIN (FMRP), COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2011-05-12 WO claimed