SCHEMBL13421375

SCHEMBL13421375

Nc1cc(Nc2cc(NCC(F)(F)F)c3ncc(N)n3n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.39
▸ PDE4D Q08499 6/20 0.39
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ ULK1 O75385 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ AR P10275 3/20 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
SCHEMBL13421756 0.88 TYK2 (0.40) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421366 0.84 TYK2 (0.37) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421365 0.84 TYK2 (0.52) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421385 0.80 TYK2 (0.43) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421368 0.79 TYK2 (0.41) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL3315374 0.77 TYK2 (0.38) TYK2PDE4DSTAT3IRAK4
SCHEMBL13421857 0.76 TYK2 (0.49) TYK2CCNE1CDK2FLT3STAT3
SCHEMBL13421911 0.73 FYN (0.35) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421386 0.71 TYK2 (0.39) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421592 0.71 EGFR (0.34) TYK2PDE4DCCNE1CDK2FLT3

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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