SCHEMBL29536952

SCHEMBL29536952

CSc1ncc2cc(Oc3ccc(F)cc3F)c(Cl)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.45
MAPK14 Q16539 6/20 0.40
TRPA1 O75762 6/20 0.39
MET P08581 1/20 0.39
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL25226268 1.00 MAPK8 (0.45) MAPK8MAPK14TRPA1METMAPT
SCHEMBL16650398 0.86 TRPA1 (0.42) MAPK14TRPA1METMAPTRXFP1
SCHEMBL14014291 0.86 MAPK8 (0.45) MAPK8MAPK14TRPA1MET
SCHEMBL5122174 0.79 MAPK8 (0.43) MAPK8MAPK14MET
SCHEMBL29536776 0.79 MAPK8 (0.42) MAPK8MAPK14MET
SCHEMBL25222319 0.79 MAPK8 (0.42) MAPK8MAPK14MET
SCHEMBL25043087 0.77 TRPA1 (0.43) MAPK14TRPA1MET
SCHEMBL16650836 0.76 MET (0.44) MAPK8MAPK14TRPA1METMAPT
SCHEMBL6073354 0.76 MEN1 (0.38) MAPTRXFP1
SCHEMBL5111814 0.76 FGFR1 (0.46) MAPK8MAPK14MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed