SCHEMBL11296161

SCHEMBL11296161

COc1cc2c(cc1N)CN(C(=O)O)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
ALOX15 P16050 1/20 0.54
THRB P10828 1/20 0.54
MEN1 O00255 3/20 0.53
HRH3 Q9Y5N1 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR183 P32249 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL2873071 0.90 MAPK1 (0.65) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL17197259 0.89 MAPK1 (0.54) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL31316090 0.89 MAPK1 (0.54) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL17197305 0.89 MAPK1 (0.54) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL8793697 0.84 MAPK1 (0.56) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL18759935 0.84 ESR1 (0.62) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL22864557 0.84 ESR1 (0.62) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL26133774 0.83 KDM4E (0.55) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL31412994 0.83 MAPK1 (0.54) MAPK1KMT2AHSD17B10KDM4ENPC1
SCHEMBL15754254 0.83 NR1H2 (0.64) MAPK1KMT2AHSD17B10KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
CN-113227049-A Indolinone compounds as MAP4K1 inhibitors 艾科诺斯科技股份有限公司 2021-08-06 CN disclosed
EP-2665727-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
WO-2012097684-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed