SCHEMBL17849715

SCHEMBL17849715

Cc1ccc(C#N)cc1Nc1cc(NC2CCC2)c2ncc(C#N)n2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.46
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ CSNK2A2 P19784 9/20 0.43
▸ CSNK2A1 P68400 9/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL2359655 0.96 TYK2 (0.46) TYK2PIK3CAMTORPRKDCSTAT3
SCHEMBL2358870 0.89 CSNK2A2 (0.46) TYK2STAT3CSNK2A2CSNK2A1CCNE1
SCHEMBL2358732 0.89 TYK2 (0.42) TYK2PIK3CAMTORPRKDCSTAT3
SCHEMBL2306697 0.85 CSNK2A2 (0.49) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL2358151 0.85 TYK2 (0.44) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL3313278 0.83 TYK2 (0.53) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL13641828 0.82 TYK2 (0.49) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL13641778 0.82 TYK2 (0.42) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL2358888 0.82 TYK2 (0.47) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL11996498 0.81 TYK2 (0.50) TYK2STAT3CSNK2A2CSNK2A1KCNH2

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
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
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