SCHEMBL7977818

SCHEMBL7977818

Cc1cccc(-c2ccc(-c3n[nH]c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48
F11 P03951 1/20 0.48
F7 P08709 1/20 0.48
MAPK14 Q16539 3/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
JAK2 O60674 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
JAK1 P23458 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 1/20 0.37
CCND3 P30281 1/20 0.37
JAK3 P52333 1/20 0.37
NPBWR1 P48145 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL7975112 0.90 F9 (0.47) F9F10F11F7NPBWR1
SCHEMBL7969289 0.85 F9 (0.48) F9F10F11F7GUSB
SCHEMBL16258933 0.83 F9 (0.47) F9F10F11F7MAPK14
SCHEMBL7962296 0.82 NPBWR1 (0.36) MAPK14CSNK1DCSNK1EJAK2CDK4
SCHEMBL20307729 0.81 F9 (0.40) F9F10F11F7CDK4
SCHEMBL7969287 0.81 F9 (0.46) F9F10F11F7NPBWR1
SCHEMBL7973518 0.81 F9 (0.43) F9F10F11F7JAK2
SCHEMBL7973330 0.79 F9 (0.44) F9F10F11F7CNR1
SCHEMBL7972949 0.78 F9 (0.46) F9F10F11F7DHODH
SCHEMBL7960905 0.78 F9 (0.46) F9F10F11F7DHODH

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