SCHEMBL29616752

SCHEMBL29616752

COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1C[C@@H](C)N(C)[C@@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 1.00
DAPK3 O43293 1/20 1.00
INSR P06213 1/20 1.00
INSRR P14616 1/20 1.00
LTK P29376 1/20 1.00
CLK1 P49759 1/20 1.00
DAPK1 P53355 1/20 1.00
MERTK Q12866 1/20 1.00
DAPK2 Q9UIK4 1/20 1.00

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
SCHEMBL20168588 1.00 ALK (1.00) ALKDAPK3INSRINSRRLTK
SCHEMBL21459035 1.00 ALK (1.00) ALKDAPK3INSRINSRRLTK
SCHEMBL20168624 0.95 ALK (0.90) ALKDAPK3INSRINSRRLTK
SCHEMBL20168720 0.95 ALK (0.90) ALKDAPK3INSRINSRRLTK
SCHEMBL20168664 0.95 ALK (0.90) ALKDAPK3INSRINSRRLTK
SCHEMBL23116612 0.93 ALK (0.87) ALKDAPK3INSRINSRRLTK
SCHEMBL21391668 0.93 ALK (0.87) ALKDAPK3INSRINSRRLTK
SCHEMBL21459161 0.92 ALK (0.86) ALKDAPK3INSRINSRRLTK
SCHEMBL21473698 0.92 ALK (0.86) ALKDAPK3INSRINSRRLTK
SCHEMBL20182981 0.92 ALK (1.00) ALKDAPK3INSRINSRRLTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043821-B Aminopyrimidines as ALK inhibitors 密歇根大学董事会 2024-08-06 CN disclosed
US-20230398146-A1 IMMUNE MODULATION OF MYELOID DERIVED SUPPRESSIVE CELL FUNCTION FOR CANCER TREATMENT SURGE Therapeutics, Inc. 2023-12-14 US disclosed
CN-116322702-A Immunomodulation of myeloid-derived suppressor cell function for cancer treatment 萨吉治疗公司 2023-06-23 CN disclosed
CN-115043821-A Aminopyrimidines as ALK inhibitors 密歇根大学董事会 2022-09-13 CN disclosed
EP-4001273-A2 AMINOPYRIMIDINES AS ALK INHIBITORS The Regents Of The University Of Michigan (US) 2022-05-25 EP disclosed
CN-109715620-B Aminopyrimidines as ALK inhibitors 密歇根大学董事会 2022-05-06 CN disclosed