SCHEMBL24676692

SCHEMBL24676692

Cc1nc(CN(C)C)sc1-c1cc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.38
CCNE1 P24864 10/20 0.38
CCND1 P24385 10/20 0.38
CDK6 Q00534 10/20 0.38
CCNT1 O60563 6/20 0.38
CDK4 P11802 5/20 0.38
CDK9 P50750 5/20 0.38
TDO2 P48775 1/20 0.38
CCR6 P51684 4/20 0.38
CCND3 P30281 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 1/20 0.38
RORC P51449 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL24676694 0.87 CDK2 (0.42) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL24675990 0.85 CDK2 (0.38) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL29754870 0.85 CDK2 (0.38) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL24676825 0.84 CCNA2 (0.43) CDK2CCND1CDK6CCNT1CDK4
SCHEMBL24676487 0.84 TDO2 (0.41) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL24676488 0.84 CDK2 (0.48) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL24676701 0.77 GPR119 (0.42) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL29754809 0.77 GPR119 (0.42) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL24676827 0.76 CDK2 (0.42) CDK2CCNE1CCND1CDK6CCNT1
SCHEMBL24676443 0.75 CCNE1 (0.47) CDK2CCNE1CCND1CDK6CCNT1

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