SCHEMBL7971254

SCHEMBL7971254

NCc1ccc2[nH]c(-c3[nH]nc(-c4ccc(-n5ccnn5)cc4)c3O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
F11 P03951 1/20 0.41
F7 P08709 1/20 0.41
CHEK1 O14757 2/20 0.37
CDK7 P50613 1/20 0.37
MAPK1 P28482 2/20 0.33
CDK2 P24941 4/20 0.33
CDK4 P11802 3/20 0.33
CCNA2 P20248 3/20 0.33
CCND1 P24385 3/20 0.33
CCND3 P30281 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL10140116 0.83 CA12 (0.36) CHEK1CDK7CDK2CDK4CCNA2
SCHEMBL20307797 0.81 F9 (0.47) F9F10F11F7CHEK1
SCHEMBL7973898 0.78 ALDH1A1 (0.44) F9F10F11F7CHEK1
SCHEMBL7961139 0.76 F9 (0.47) F9F10F11F7CHEK1
SCHEMBL7971260 0.74 F9 (0.45) F9F10F11F7MAPK1
SCHEMBL7978374 0.74 F9 (0.54) F9F10F11F7MAPK1
SCHEMBL7974859 0.73 F9 (0.68) F9F10F11F7MAPK1
SCHEMBL20307773 0.72 F9 (0.43) F9F10F11F7CHEK1
SCHEMBL10172729 0.70 PTGDR2 (0.36) KDM4EALDH1A1BRAF
SCHEMBL7974191 0.70 F10 (0.55) F9F10F11F7CDK2

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