SCHEMBL7973518

SCHEMBL7973518

COc1cccc(-c2ccc(-c3n[nH]c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
F11 P03951 1/20 0.43
F7 P08709 1/20 0.43
CHEK1 O14757 6/20 0.38
BTK Q06187 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAPDH P04406 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK4 P11802 4/20 0.35
CCNA2 P20248 4/20 0.35
CCND1 P24385 4/20 0.35
CDK2 P24941 4/20 0.35
CCND3 P30281 4/20 0.35
AMY1A P0DUB6 4/20 0.34
KDR P35968 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL7970941 0.83 BACE1 (0.35) F9F10F11CHEK1BTK
SCHEMBL7975112 0.82 F9 (0.47) F9F10F11F7MAPT
SCHEMBL7977818 0.81 F9 (0.48) F9F10F11F7KDM4E
SCHEMBL16258933 0.80 F9 (0.47) F9F10F11F7CHEK1
SCHEMBL7969289 0.78 F9 (0.48) F9F10F11F7KDM4E
SCHEMBL7969287 0.76 F9 (0.46) F9F10F11F7CHEK1
SCHEMBL7973330 0.76 F9 (0.44) F9F10F11F7KDM4E
SCHEMBL7980064 0.75 GSK3B (0.49) F9F10F11F7CHEK1
SCHEMBL7969756 0.75 F10 (0.42) F9F10F11F7KDM4E
SCHEMBL20307729 0.74 F9 (0.40) F9F10F11F7CHEK1

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