SCHEMBL13422007

SCHEMBL13422007

COCCNc1cc(Nc2cc(C#N)cc(C(F)(F)F)c2)nn2c(N)cnc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ EGLN2 Q96KS0 3/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PDE4D Q08499 5/20 0.34
▸ CSNK2A2 P19784 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ FGFR4 P22455 3/20 0.32
▸ BRAF P15056 1/20 0.31

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
SCHEMBL2309014 0.90 TYK2 (0.51) TYK2STAT3TAS2R14EGLN2DYRK1A
SCHEMBL13422017 0.88 TYK2 (0.40) TYK2STAT3RXFP1PDE4DBRAF
SCHEMBL13421712 0.85 TYK2 (0.58) TYK2STAT3TAS2R14PDE4D
SCHEMBL13641453 0.80 TYK2 (0.53) TYK2STAT3TAS2R14PDE4DCSNK2A2
SCHEMBL12013157 0.79 TYK2 (0.53) TYK2STAT3TAS2R14PDE4DCSNK2A2
SCHEMBL3313699 0.79 TYK2 (0.55) TYK2STAT3TAS2R14PDE4DCSNK2A2
SCHEMBL3314987 0.79 CSNK2A2 (0.39) TYK2STAT3EGLN2DYRK1APDE4D
SCHEMBL13421374 0.78 TYK2 (0.41) TYK2PDE4D
SCHEMBL3315693 0.77 TYK2 (0.55) TYK2STAT3TAS2R14PDE4DCSNK2A2
SCHEMBL12013122 0.77 CSNK2A2 (0.39) TYK2STAT3EGLN2DYRK1APDE4D

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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