SCHEMBL7974191

SCHEMBL7974191

NCc1ccc2nc(-c3[nH]nc(-c4ccc5ccccc5c4)c3O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.55
F9 P00740 1/20 0.55
F11 P03951 1/20 0.55
F7 P08709 1/20 0.55
CHEK2 O96017 6/20 0.46
NPBWR1 P48145 2/20 0.41
NT5E P21589 1/20 0.40
ITK Q08881 1/20 0.40
SLC2A1 P11166 1/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
CBFB Q13951 1/20 0.38
FLT1 P17948 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7974859 0.89 F9 (0.68) F10F9F11F7CHEK2
SCHEMBL7978374 0.85 F9 (0.54) F10F9F11F7CHEK2
SCHEMBL7970846 0.80 CHEK2 (0.44) CHEK2NPBWR1NT5ESLC2A1FGFR1
SCHEMBL7974790 0.78 F10 (0.48) F10F9F11F7CHEK2
SCHEMBL20307797 0.77 F9 (0.47) F10F9F11F7CHEK2
SCHEMBL7978435 0.74 F10 (0.83) F10F9F11F7F2
SCHEMBL7961139 0.74 F9 (0.47) F10F9F11F7CDK2
SCHEMBL7960247 0.72 F9 (0.60) F10F9F11F7CHEK2
SCHEMBL7971260 0.72 F9 (0.45) F10F9F11F7CHEK2
SCHEMBL3533865 0.72 ITK (0.67) CHEK2ITKFGFR1FGFR3FLT1

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed