SCHEMBL7970397

SCHEMBL7970397

CC(=O)N1Cc2cc3nc(-c4[nH]nc(-c5ccc(C)cc5)c4O)[nH]c3cc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.43
F10 P00742 2/20 0.43
F11 P03951 2/20 0.43
F7 P08709 1/20 0.43
BRD4 O60885 1/20 0.40
CHEK2 O96017 5/20 0.38
ATR Q13535 3/20 0.37
HPSE Q9Y251 2/20 0.36
SMPD3 Q9NY59 1/20 0.35
EGFR P00533 1/20 0.35
ABCB1 P08183 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL7972241 0.89 F9 (0.41) F9F10F11F7BRD4
SCHEMBL7975112 0.83 F9 (0.47) F9F10F11F7BRD4
SCHEMBL7970443 0.83 ATR (0.39) F9F10F11BRD4CHEK2
SCHEMBL7971003 0.80 F9 (0.43) F9F10F11F7CHEK2
SCHEMBL10172686 0.76 CHEK2 (0.69) F9F10F11F7CHEK2
SCHEMBL20307729 0.75 F9 (0.40) F9F10F11F7CHEK2
SCHEMBL7977818 0.74 F9 (0.48) F9F10F11F7
SCHEMBL10172741 0.73 F9 (0.53) F9F10F11F7CHEK2
SCHEMBL16258933 0.73 F9 (0.47) F9F10F11F7CHEK2
SCHEMBL16258970 0.73 F9 (0.48) F9F10F11F7CHEK2

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