SCHEMBL7974790

SCHEMBL7974790

CCc1ncccc1-c1ccc(-c2n[nH]c(-c3nc4ccc(CN)cc4[nH]3)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
F9 P00740 1/20 0.48
F11 P03951 1/20 0.48
F7 P08709 1/20 0.48
CBFB Q13951 4/20 0.41
NPBWR1 P48145 1/20 0.36
CHEK2 O96017 4/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL7969756 0.82 F10 (0.42) F10F9F11F7CBFB
SCHEMBL7978374 0.82 F9 (0.54) F10F9F11F7NPBWR1
SCHEMBL7974859 0.82 F9 (0.68) F10F9F11F7CBFB
SCHEMBL7974191 0.78 F10 (0.55) F10F9F11F7CBFB
SCHEMBL16258910 0.78 CBFB (0.40) F10F9F11CBFBNPBWR1
SCHEMBL20307797 0.74 F9 (0.47) F10F9F11F7NPBWR1
SCHEMBL16258935 0.73 CBFB (0.43) F10F9F11CBFBNPBWR1
SCHEMBL20307768 0.72 CBFB (0.42) F10CBFBNPBWR1CHEK2F2
SCHEMBL10139920 0.71 CBFB (0.46) F10CBFBF2PLGPLAU
SCHEMBL7973898 0.69 ALDH1A1 (0.44) F10F9F11F7CDK2

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