SCHEMBL13421376

SCHEMBL13421376

COc1cc(Nc2cc(NC3CCC3)c3ncc(N)n3n2)cc(-n2nnnc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.47
▸ PRKCQ Q04759 8/20 0.44
▸ CCNE1 P24864 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ STAT3 P40763 1/20 0.34
▸ PDE4D Q08499 1/20 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
SCHEMBL13421317 0.97 TYK2 (0.46) TYK2PRKCQCCNE1CDK2FLT3
SCHEMBL3318540 0.88 TYK2 (0.44) TYK2PRKCQCCNE1CDK2FLT3
SCHEMBL3312224 0.85 PRKCQ (0.44) TYK2PRKCQSTAT3PDE4D
SCHEMBL13421744 0.84 PRKCQ (0.41) TYK2PRKCQCCNE1CDK2FLT3
SCHEMBL13421747 0.83 PRKCQ (0.41) TYK2PRKCQPDE4D
SCHEMBL13421314 0.81 TYK2 (0.55) TYK2CCNE1CDK2FLT3STAT3
SCHEMBL13421529 0.80 PRKCQ (0.39) TYK2PRKCQPDE4D
SCHEMBL13421853 0.79 TYK2 (0.51) TYK2CCNE1CDK2FLT3STAT3
SCHEMBL13422051 0.75 PRKCQ (0.40) TYK2PRKCQCCNE1CDK2FLT3
SCHEMBL3313894 0.73 PRKCQ (0.39) TYK2PRKCQ

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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