SCHEMBL6524830

SCHEMBL6524830

COc1cc(OC)c2c(=O)cc(-c3ccccc3Cl)oc2c1C1CCN(C)[C@@H]1CO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.75
CDK1 P06493 13/20 0.75
CCND1 P24385 12/20 0.75
CDK9 P50750 11/20 0.75
CDK2 P24941 11/20 0.75
CCNB1 P14635 10/20 0.75
CCNT1 O60563 9/20 0.75
CCNA2 P20248 6/20 0.75
CCNB2 O95067 6/20 0.75
CCNB3 Q8WWL7 6/20 0.75
CDK6 Q00534 5/20 0.75
CCNE1 P24864 5/20 0.75
CCND3 P30281 4/20 0.75
GSK3A P49840 4/20 0.75
CDK7 P50613 3/20 0.75
CCNH P51946 2/20 0.75
MNAT1 P51948 2/20 0.75
MAPK15 Q8TD08 2/20 0.75
CAMKK2 Q96RR4 2/20 0.75
CCNA1 P78396 2/20 0.75

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
SCHEMBL291052 1.00 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
SCHEMBL291053 1.00 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
SCHEMBL291051 1.00 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3108717 0.99 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3108722 0.99 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
Hydrochloric Acid SCHEMBL3108728 0.99 CDK4 (0.75) CDK4CDK1CCND1CDK9CDK2
Acetic Acid SCHEMBL3105601 0.97 CDK4 (0.71) CDK4CDK1CCND1CDK9CDK2
Acetic Acid SCHEMBL3105617 0.97 CDK4 (0.71) CDK4CDK1CCND1CDK9CDK2
Nitric Acid SCHEMBL3104675 0.95 CDK4 (0.69) CDK4CDK1CCND1CDK9CDK2
Nitric Acid SCHEMBL3104690 0.95 CDK4 (0.69) CDK4CDK1CCND1CDK9CDK2

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 5 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
WO-2012069972-A1 A PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BREAST CANCER PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-31 WO disclosed
EP-1556375-A2 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES Nicholas Piramal India Limited (IN) 2005-07-27 EP disclosed
WO-2004004632-A2 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES NICHOLAS PIRAMAL INDIA LIMITED (IN) 2004-01-15 WO disclosed