SCHEMBL22650507

SCHEMBL22650507

CN(C)C1CCCN(c2ccc(Nc3nccc(-c4cc(F)c5c(c4)C(C)(C)CO5)n3)nc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 19/20 0.45
CDK4 P11802 17/20 0.45
CCND3 P30281 6/20 0.45
CCNA2 P20248 4/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 4/20 0.41
CDK5 Q00535 2/20 0.41
CCNK O75909 2/20 0.41
CDK9 P50750 2/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CSF1R P07333 1/20 0.37
CCND1 P24385 1/20 0.37
CCNA1 P78396 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
SCHEMBL22650508 0.91 JAK2 (0.38) CDK6CDK4CCND3
SCHEMBL22650773 0.85 CDK4 (0.45) CDK6CDK4CCND3CCNA2CDK1
SCHEMBL22650509 0.85 CDK6 (0.48) CDK6CDK4CCND3CCNA2CDK1
SCHEMBL22650772 0.80 CDK6 (0.46) CDK6CDK4CCND3CCNA2CDK1
SCHEMBL22650516 0.80 JAK2 (0.41) CDK6CDK4CCND3
SCHEMBL22650492 0.80 CDK6 (0.58) CDK6CDK4CCND3CCNA2CDK1
SCHEMBL22650518 0.80 JAK2 (0.39) CDK6CDK4CCND3
SCHEMBL22650771 0.77 CDK6 (0.43) CDK6CDK4CCND3CCNA2CDK1
SCHEMBL22650517 0.76 CDK4 (0.37) CDK6CDK4CCND3CCNA2CDK2
SCHEMBL29462408 0.75 DYRK2 (0.47) CDK6CDK4CCND3CCNA2CDK1

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