SCHEMBL22650865

SCHEMBL22650865

COc1nc(-c2nc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)ncc2F)cc2c1ncn2C(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.55
CDK6 Q00534 15/20 0.55
CCNA2 P20248 5/20 0.55
CDK2 P24941 5/20 0.55
CDK9 P50750 3/20 0.55
CDK5 Q00535 2/20 0.55
CCNK O75909 2/20 0.55
CDK7 P50613 1/20 0.55
CCNH P51946 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CCND3 P30281 3/20 0.53
CCND1 P24385 3/20 0.51
CDK1 P06493 1/20 0.51
CCNT1 O60563 1/20 0.50
CSF1R P07333 1/20 0.44
CCNA1 P78396 1/20 0.44
CTSC P53634 1/20 0.44

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
SCHEMBL22650610 0.88 CDK6 (0.61) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650431 0.86 CDK6 (0.53) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650558 0.85 CDK6 (0.47) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650949 0.81 CDK6 (0.45) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650547 0.79 CDK6 (0.43) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650550 0.78 CDK4 (0.42) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650956 0.78 CDK6 (0.59) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650629 0.78 CDK6 (0.41) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL22650751 0.77 CDK6 (0.52) CDK4CDK6CCNA2CDK2CDK9
SCHEMBL29491169 0.77 CDK6 (0.52) CDK4CDK6CCNA2CDK2CDK9

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed