SCHEMBL24104355

SCHEMBL24104355

CC[C@@](C)(O)Cn1c(=O)ccc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.63
▸ CDK2 P24941 20/20 0.63
▸ CCND1 P24385 16/20 0.63
▸ CDK6 Q00534 16/20 0.63
▸ CDK4 P11802 7/20 0.63
▸ CCNT1 O60563 6/20 0.63
▸ CDK9 P50750 6/20 0.63
▸ CCND3 P30281 1/20 0.58

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
SCHEMBL24669655 0.84 CCNE1 (0.68) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24668707 0.83 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24668728 0.82 CCNE1 (0.66) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24668696 0.81 CCNE1 (0.65) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669656 0.80 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL26099327 0.80 CCNE1 (0.79) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL26099333 0.80 CCNE1 (0.79) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669537 0.79 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24670431 0.79 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669062 0.78 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CDK4

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-2021249258-A1 DEUTERATED PYRIDOPYRIMIDINONES AND THEIR USE AS HIGHLY SELECTIVE CYCLIN-DEPENDENT KINASE 2 INHIBITORS ZENTAUR THERAPEUTICS INTERNATIONAL LIMITED (CN) 2021-12-16 — — WO disclosed
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