SCHEMBL24676801

SCHEMBL24676801

CNc1nc(C)c(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C#N)s1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.56
CDK2 P24941 20/20 0.56
CDK9 P50750 20/20 0.56
CCNA2 P20248 19/20 0.56
CCNA1 P78396 9/20 0.56
CDK1 P06493 12/20 0.56
CCNB1 P14635 12/20 0.56
CDK7 P50613 12/20 0.56
CCNH P51946 12/20 0.56
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CCND3 P30281 1/20 0.51
MNAT1 P51948 1/20 0.51
CDK6 Q00534 1/20 0.51

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
SCHEMBL24676711 0.87 CDK2 (0.60) CCNT1CDK2CDK9CCNA2CCNA1
SCHEMBL24676797 0.87 CDK2 (0.62) CCNT1CDK2CDK9CCNA2CCNA1
SCHEMBL24676825 0.84 CCNA2 (0.43) CCNT1CDK2CDK9CCNA2CCNA1
SCHEMBL24676429 0.80 CDK2 (0.59) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL24675986 0.80 CDK2 (0.66) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL24676011 0.79 CDK2 (0.55) CCNT1CDK2CDK9CCNA2CCNA1
SCHEMBL24676712 0.79 IKBKB (0.59) CCNT1CDK2CDK9CCNA2CCNA1
SCHEMBL30496633 0.79 CDK2 (0.59) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL26919061 0.79 CDK2 (0.59) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL24676015 0.79 CDK2 (0.53) CCNT1CDK2CDK9CCNA2CCNA1

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