SCHEMBL24670375

SCHEMBL24670375

COCCc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C(C)C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.75
CDK2 P24941 20/20 0.75
CCND1 P24385 17/20 0.75
CDK6 Q00534 17/20 0.75
CDK4 P11802 7/20 0.75
CCNT1 O60563 6/20 0.75
CDK9 P50750 6/20 0.75
RB1 P06400 1/20 0.60
CDK1 P06493 1/20 0.60

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
SCHEMBL24670373 0.89 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24670369 0.87 CCNE1 (0.74) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863661 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24670374 0.82 CCNE1 (0.72) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL16802793 0.77 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863659 0.77 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24667768 0.76 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863662 0.75 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19857410 0.74 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863660 0.74 CCNE1 (1.00) 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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed