SCHEMBL24676822

SCHEMBL24676822

CSN1CCC(Nc2ncc(C#N)c(-c3sc(CO)nc3C(F)(F)F)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.41
CCNE1 P24864 11/20 0.41
CDK1 P06493 11/20 0.41
CCNB1 P14635 11/20 0.41
CDK7 P50613 11/20 0.41
CCNH P51946 11/20 0.41
CCNT1 O60563 10/20 0.41
CDK9 P50750 10/20 0.41
CDK4 P11802 8/20 0.41
CCND1 P24385 8/20 0.41
CCND3 P30281 8/20 0.41
CDK6 Q00534 8/20 0.41
MNAT1 P51948 8/20 0.41
JUN P05412 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
CCNA2 P20248 4/20 0.34
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL24676938 0.90 CDK2 (0.39) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24675989 0.89 CDK2 (0.37) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24676470 0.88 CDK2 (0.37) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL29754923 0.86 CCNE1 (0.48) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24676821 0.86 CCNE1 (0.48) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24676855 0.86 CDK2 (0.39) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24676911 0.82 CDK4 (0.38) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24675981 0.80 CDK2 (0.43) CDK2CDK1CCNB1CDK7CCNH
SCHEMBL24675968 0.78 CDK2 (0.36) CDK2CCNE1CDK1CCNB1CDK7
SCHEMBL24676693 0.78 CDK2 (0.38) CDK2CCNE1CDK1CCNB1CDK7

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