SCHEMBL19035

SCHEMBL19035

Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
GAA P10253 1/20 0.67
NPC1 O15118 2/20 0.62
GPBAR1 Q8TDU6 5/20 0.60
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
IKBKB O14920 1/20 0.44
BACE1 P56817 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4718673 0.84 KMT2A (0.72) KMT2AMEN1GAANPC1GPBAR1
Hydrochloric Acid SCHEMBL30684627 0.82 KMT2A (0.70) KMT2AMEN1GAANPC1GPBAR1
SCHEMBL2780502 0.81 GPBAR1 (0.58) KMT2AMEN1GAANPC1GPBAR1
SCHEMBL903110 0.80 KMT2A (1.00) KMT2AMEN1GAANPC1TSHR
Hydrochloric Acid SCHEMBL30684542 0.79 KMT2A (0.97) KMT2AMEN1GAANPC1TSHR
Hydrochloric Acid SCHEMBL30684473 0.79 KMT2A (0.97) KMT2AMEN1GAANPC1TSHR
SCHEMBL3829751 0.78 KMT2A (0.68) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL7558640 0.78 MEN1 (0.68) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL3824854 0.77 MEN1 (0.67) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL3827327 0.77 KMT2A (0.67) KMT2AMEN1GAANPC1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109568302-B Medicine compound for treating advanced liver cancer and application thereof 郑州大学第一附属医院 2021-07-16 CN disclosed
EP-3833669-A1 PRMT5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-06-16 EP disclosed
EP-3706747-A1 PRMT5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-16 EP disclosed
WO-2020033285-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 WO disclosed
EP-3525786-A1 KDM5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-08-21 EP disclosed
EP-3344243-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING HEMATOLOGICAL CANCERS The Broad Institute Inc. (US) 2018-07-11 EP disclosed
WO-2018071282-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
WO-2017037022-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING HEMATOLOGICAL CANCERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-09 WO disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2004004652-A2 MITOTIC KINESIN BINDING SITE MERCK & CO., INC. (US) 2004-01-15 WO disclosed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003086395-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
WO-2003050122-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed
WO-2003039460-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-05-15 WO disclosed
WO-2003024931-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO disclosed
EP-1259235-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001062251-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed