SCHEMBL3640649

SCHEMBL3640649

CCC(C#N)c1cccc(C(=O)Nc2ccc(C)c(Oc3ccc(N)nc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.47
CDK8 P49336 10/20 0.47
KDR P35968 4/20 0.43
TEK Q02763 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
DDR1 Q08345 1/20 0.41
KIT P10721 1/20 0.41
MAPK14 Q16539 1/20 0.41
ABL1 P00519 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL3636294 0.88 CDK8 (0.53) CDK8
SCHEMBL3639218 0.87 KDR (0.41) BRAFKDRTEKKDM4EMAPT
SCHEMBL3640647 0.80 BRAF (0.72) BRAF
SCHEMBL3636051 0.77 SMN1; SMN2 (0.50) BRAFMAPT
SCHEMBL3638532 0.75 FFAR1 (0.47) MAPT
SCHEMBL2860429 0.74 CDK8 (0.56) CDK8
SCHEMBL2335120 0.73 FNTA (0.44) KDM4EMAPT
SCHEMBL3641158 0.73 MEN1 (0.47) CDK8MAPT
SCHEMBL2338143 0.72 KMT2A (0.58) MAPT
SCHEMBL2334149 0.71 POLB (0.47) BRAFKDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed