SCHEMBL30726190

SCHEMBL30726190

CS(=O)(=O)N1CCC(Nc2ncc3cc(C(F)F)cc(C4CC5(CCN(CC(F)(F)CO)C5)C4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.42
▸ CDK2 P24941 20/20 0.42
▸ CCND1 P24385 17/20 0.42
▸ CDK6 Q00534 17/20 0.42
▸ CDK4 P11802 4/20 0.42
▸ CCNT1 O60563 4/20 0.42
▸ CDK9 P50750 4/20 0.42
▸ CCND3 P30281 3/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ RB1 P06400 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNA2 P20248 1/20 0.42

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
SCHEMBL27033376 1.00 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30804787 0.92 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27065782 0.92 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27033603 0.89 CCNE1 (0.43) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30726197 0.89 CCNE1 (0.43) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27174686 0.88 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30804794 0.88 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30726229 0.83 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27033388 0.83 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL31538948 0.82 CDK2 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558493-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 — — EP disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
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