SCHEMBL4783254

SCHEMBL4783254

COc1c(C#N)cc(C(C)(C)C)cc1Nc1cnc(C)c(-n2cc(C(=O)NN3C(C)CCCC3C)nn2)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.35
GSK3A P49840 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL4783260 0.90 MAPK14 (0.31) MAPK14
SCHEMBL4781871 0.88 MAPK14 (0.37) MAPK14GSK3AGPR119
SCHEMBL4782033 0.84 NR1I2 (0.35) GPR119
SCHEMBL4799754 0.82 MAPK14 (0.37) MAPK14GSK3A
SCHEMBL4782038 0.81 TEK (0.39) GPR119
SCHEMBL4781720 0.79 MAPK14 (0.43) MAPK14GSK3A
SCHEMBL4779949 0.78 MAPK14 (0.37) MAPK14
SCHEMBL4781875 0.78 SCN10A (0.34) MAPK14
SCHEMBL4781042 0.76 BRAF (0.32) MAPK14
SCHEMBL4783259 0.75 MAPK14 (0.34) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed