SCHEMBL24669082

SCHEMBL24669082

CS(=O)(=O)N1CCC(Nc2ncc3cc(C(F)F)c(=O)n(CCOCCS(=O)(=O)n4cnc(C5CC5)n4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.56
▸ CDK2 P24941 19/20 0.56
▸ CCND1 P24385 17/20 0.56
▸ CDK6 Q00534 17/20 0.56
▸ CDK4 P11802 3/20 0.51
▸ CCNT1 O60563 2/20 0.51
▸ CDK9 P50750 2/20 0.51
▸ CCNE2 O96020 1/20 0.51
▸ RB1 P06400 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ MAPK8 P45983 1/20 0.45

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
SCHEMBL24668767 0.97 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24668617 0.87 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24667996 0.85 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669203 0.85 CCNE1 (0.63) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24668002 0.84 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669757 0.83 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24668808 0.83 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24667769 0.81 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669680 0.81 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24669210 0.80 CCNE1 (0.70) 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
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