SCHEMBL22650773

SCHEMBL22650773

CN(C)C1CCN(c2ccc(Nc3nccc(-c4cc(F)c5c(c4)C(C)(C)CO5)n3)nc2)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.45
CDK6 Q00534 18/20 0.45
CDK2 P24941 6/20 0.45
CCNA2 P20248 6/20 0.45
CDK5 Q00535 3/20 0.45
CCNK O75909 2/20 0.45
CDK9 P50750 2/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCND3 P30281 6/20 0.42
CDK1 P06493 2/20 0.41
CCND1 P24385 2/20 0.41
CCNA1 P78396 2/20 0.41
GSK3B P49841 1/20 0.41
CSF1R P07333 1/20 0.37

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
SCHEMBL22650507 0.85 CDK6 (0.45) CDK4CDK6CDK2CCNA2CDK5
SCHEMBL22650772 0.83 CDK6 (0.46) CDK4CDK6CDK2CCNA2CDK5
SCHEMBL22650492 0.83 CDK6 (0.58) CDK4CDK6CDK2CCNA2CDK5
SCHEMBL22650509 0.82 CDK6 (0.48) CDK4CDK6CDK2CCNA2CDK5
SCHEMBL22650497 0.80 DYRK2 (0.47) CDK4CDK6CDK2CCNA2CDK9
SCHEMBL29462408 0.80 DYRK2 (0.47) CDK4CDK6CDK2CCNA2CDK9
SCHEMBL22650771 0.78 CDK6 (0.43) CDK4CDK6CDK2CCNA2CDK5
SCHEMBL22650508 0.76 JAK2 (0.38) CDK4CDK6CCND3
SCHEMBL22650823 0.74 CDK4 (0.45) CDK4CDK6CDK2CCNA2CDK9
SCHEMBL22650901 0.74 CDK4 (0.45) CDK4CDK6CDK2CCNA2CDK9

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