SCHEMBL22650550

SCHEMBL22650550

COc1nc(-c2nc(Nc3ccc(N4CCN(C5COC5)CC4=O)cn3)ncc2F)cc2c1ncn2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.42
CDK6 Q00534 18/20 0.42
CCNA2 P20248 5/20 0.42
CCND3 P30281 4/20 0.42
CDK2 P24941 4/20 0.42
CSF1R P07333 6/20 0.39
PIK3CD O00329 3/20 0.39
CCNK O75909 2/20 0.39
CDK9 P50750 2/20 0.39
CDK1 P06493 1/20 0.39
CCND1 P24385 1/20 0.36

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
SCHEMBL22650431 0.89 CDK6 (0.53) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650543 0.89 CDK4 (0.44) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650949 0.87 CDK6 (0.45) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650547 0.87 CDK6 (0.43) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650629 0.85 CDK6 (0.41) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650425 0.83 CDK4 (0.47) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650951 0.81 CDK4 (0.44) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650621 0.80 CDK4 (0.46) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650865 0.78 CDK4 (0.55) CDK4CDK6CCNA2CCND3CDK2
SCHEMBL22650546 0.77 CDK4 (0.42) CDK4CDK6CCNA2CCND3CDK2

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