SCHEMBL13421328

SCHEMBL13421328

CN(C)CCNc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)cc(-n2cnnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.44
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ PDE4D Q08499 1/20 0.36
▸ CSNK2A2 P19784 8/20 0.34

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
SCHEMBL2359696 0.88 TYK2 (0.42) TYK2STAT3CSNK2A2
SCHEMBL13421758 0.85 CSNK2A2 (0.48) TYK2CCNE1CDK2FLT3CSNK2A2
SCHEMBL13421527 0.82 CSNK2A2 (0.45) TYK2CCNE1CDK2FLT3CSNK2A2
SCHEMBL13421764 0.82 TYK2 (0.54) TYK2CCNE1CDK2FLT3STAT3
SCHEMBL13421865 0.81 CSNK2A2 (0.47) TYK2CCNE1CDK2FLT3CSNK2A2
SCHEMBL13421868 0.80 TYK2 (0.46) TYK2CCNE1CDK2FLT3STAT3
SCHEMBL13421329 0.79 CSNK2A2 (0.52) TYK2CCNE1CDK2FLT3CSNK2A2
SCHEMBL13421866 0.78 CSNK2A2 (0.41) TYK2CCNE1CDK2FLT3CSNK2A2
SCHEMBL13421339 0.77 TYK2 (0.47) TYK2CCNE1CDK2FLT3STAT3
SCHEMBL13421860 0.76 TYK2 (0.60) TYK2CCNE1CDK2FLT3STAT3

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-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO disclosed
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