SCHEMBL17849713

SCHEMBL17849713

CC(=O)Nc1cc(Nc2cc(Nc3ccccn3)c3ncc(C#N)n3n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ PDE4D Q08499 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ CSNK2A2 P19784 3/20 0.36
▸ CSNK2B P67870 3/20 0.36
▸ CSNK2A1 P68400 3/20 0.36
▸ DYRK3 O43781 3/20 0.36
▸ HIPK2 Q9H2X6 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ STK4 Q13043 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ DYRK2 Q92630 2/20 0.34
▸ DYRK1B Q9Y463 2/20 0.34
▸ TGFBR1 P36897 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
SCHEMBL3313799 0.92 TYK2 (0.40) TYK2PDE4DGRM4HIPK2CDK2
SCHEMBL2358576 0.92 TYK2 (0.37) TYK2PDE4DGRM4MEN1KMT2A
SCHEMBL3311950 0.88 DYRK3 (0.46) TYK2PDE4DCSNK2A2CSNK2BCSNK2A1
SCHEMBL2357817 0.84 TYK2 (0.38) TYK2PDE4DGRM4HIPK2CDK2
SCHEMBL3315482 0.84 CSNK2A1 (0.49) TYK2KCNH2CSNK2A2CSNK2BCSNK2A1
SCHEMBL2358223 0.79 TYK2 (0.38) TYK2KCNH2PDE4DCSNK2A2CSNK2B
SCHEMBL3317123 0.79 TYK2 (0.46) TYK2KCNH2CSNK2A2CSNK2BCSNK2A1
SCHEMBL13421523 0.79 TYK2 (0.40) TYK2PDE4DGRM4MEN1KMT2A
SCHEMBL2356820 0.79 CSNK2A2 (0.46) TYK2KCNH2PDE4DCSNK2A2CSNK2B
SCHEMBL2358706 0.78 TYK2 (0.51) TYK2PDE4DCSNK2A2CSNK2BCSNK2A1

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