SCHEMBL4783259

SCHEMBL4783259

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)NNC(C)(C)C)nn2)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.34
NR1I2 O75469 4/20 0.34
MALT1 Q9UDY8 4/20 0.32
BRAF P15056 2/20 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
SCHEMBL4781042 0.89 BRAF (0.32) MAPK14NR1I2BRAF
SCHEMBL4799766 0.88 DDT (0.32) MAPK14NR1I2MALT1BRAF
SCHEMBL4781875 0.88 SCN10A (0.34) MAPK14NR1I2MALT1BRAF
SCHEMBL4783260 0.86 MAPK14 (0.31) MAPK14NR1I2BRAF
SCHEMBL4782655 0.84 GPR119 (0.33) MAPK14NR1I2BRAF
SCHEMBL4781726 0.84 MAPK14 (0.41) MAPK14MALT1
SCHEMBL4783890 0.84 GPR119 (0.32) MAPK14NR1I2BRAF
SCHEMBL4780202 0.83 TEK (0.42) NR1I2BRAF
SCHEMBL4782086 0.82 GPR119 (0.32) MAPK14NR1I2
SCHEMBL4016812 0.79 NR1H4 (0.38) MAPK14NR1I2BRAF

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