SCHEMBL6519636

SCHEMBL6519636

Cc1ccc(Cl)c(-c2cc(=O)c3c(O)cc(O)c(C4CCN(C)[C@@H]4CO)c3o2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.81
CDK2 P24941 13/20 0.81
CDK9 P50750 13/20 0.81
CDK1 P06493 13/20 0.81
CCND1 P24385 12/20 0.81
CCNT1 O60563 11/20 0.81
CCNB1 P14635 10/20 0.81
CCNA2 P20248 8/20 0.81
CCNB2 O95067 6/20 0.81
CCNB3 Q8WWL7 6/20 0.81
CCNE1 P24864 5/20 0.81
CDK6 Q00534 5/20 0.81
CCND3 P30281 4/20 0.81
GSK3A P49840 4/20 0.81
CDK7 P50613 3/20 0.81
CCNH P51946 2/20 0.81
MNAT1 P51948 2/20 0.81
MAPK15 Q8TD08 2/20 0.81
CAMKK2 Q96RR4 2/20 0.81
CCNA1 P78396 2/20 0.81

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
SCHEMBL1180351 1.00 CDK4 (0.81) CDK4CDK2CDK9CDK1CCND1
SCHEMBL1180345 1.00 CDK4 (0.81) CDK4CDK2CDK9CDK1CCND1
SCHEMBL1180348 1.00 CDK4 (0.81) CDK4CDK2CDK9CDK1CCND1
SCHEMBL27028149 0.93 CDK4 (0.81) CDK4CDK2CDK9CDK1CCND1
SCHEMBL1180211 0.92 CDK4 (0.82) CDK4CDK2CDK9CDK1CCND1
SCHEMBL1180222 0.92 CDK4 (0.82) CDK4CDK2CDK9CDK1CCND1
SCHEMBL1180213 0.92 CDK4 (0.82) CDK4CDK2CDK9CDK1CCND1
Hydrochloric Acid SCHEMBL1180102 0.91 CDK4 (0.82) CDK4CDK2CDK9CDK1CCND1
Hydrochloric Acid SCHEMBL1180106 0.91 CDK4 (0.82) CDK4CDK2CDK9CDK1CCND1
Hydrochloric Acid SCHEMBL1180100 0.91 CDK4 (0.82) CDK4CDK2CDK9CDK1CCND1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556375-A2 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES Nicholas Piramal India Limited (IN) 2005-07-27 EP claimed
WO-2004004632-A2 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES NICHOLAS PIRAMAL INDIA LIMITED (IN) 2004-01-15 WO claimed