SCHEMBL24676825

SCHEMBL24676825

CNc1nc(C)c(-c2cc(NC3CCN(S(C)(=O)=O)CC3)ncc2C#N)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.43
CDK2 P24941 19/20 0.43
CCNT1 O60563 18/20 0.43
CDK9 P50750 18/20 0.43
CDK1 P06493 11/20 0.43
CCNB1 P14635 11/20 0.43
CDK7 P50613 11/20 0.43
CCNH P51946 11/20 0.43
CCNA1 P78396 6/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCND3 P30281 2/20 0.42
CDK6 Q00534 2/20 0.42
TDO2 P48775 1/20 0.40

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
SCHEMBL24676488 0.92 CDK2 (0.48) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24676827 0.91 CDK2 (0.42) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24676829 0.88 CCNT1 (0.43) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL29754970 0.88 CCR6 (0.40) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24676010 0.88 CCR6 (0.40) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL29754870 0.87 CDK2 (0.38) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24675990 0.87 CDK2 (0.38) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24676487 0.87 TDO2 (0.41) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24676953 0.86 CDK2 (0.47) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL24676947 0.86 CDK2 (0.49) CCNA2CDK2CCNT1CDK9CDK1

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-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed