SCHEMBL22650511

SCHEMBL22650511

CCN1CC2CC1CN2c1ccc(Nc2nccc(-c3cc4c(ncn4C(C)C)c(OC)n3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 15/20 0.35
CDK4 P11802 15/20 0.35
CDK6 Q00534 12/20 0.34
CDK1 P06493 10/20 0.34
CCNB1 P14635 8/20 0.34
CCNA2 P20248 9/20 0.34
CDK2 P24941 8/20 0.34
CCNA1 P78396 4/20 0.34
CCND3 P30281 7/20 0.34
CCNT1 O60563 3/20 0.34
CDK7 P50613 3/20 0.34
CDK9 P50750 3/20 0.34
CCNH P51946 3/20 0.34

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
SCHEMBL22650463 0.85 CDK4 (0.44) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650510 0.85 CDK4 (0.37) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650859 0.79 CDK4 (0.51) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650615 0.79 CDK4 (0.46) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650429 0.79 CCND1 (0.40) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650546 0.78 CDK4 (0.42) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650548 0.77 CDK4 (0.41) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650958 0.77 CDK4 (0.42) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650946 0.75 CDK6 (0.44) CCND1CDK4CDK6CDK1CCNB1
SCHEMBL22650734 0.74 CDK6 (0.48) CCND1CDK4CDK6CDK1CCNB1

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