SCHEMBL30768116

SCHEMBL30768116

CC(C)(C)OC(=O)N1CCOC2(CC(c3nc(C4CC4)cc4cnc(NC5CCN(S(C)(=O)=O)CC5)nc34)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.42
▸ CCNE1 P24864 14/20 0.42
▸ GPR119 Q8TDV5 3/20 0.40
▸ CCND1 P24385 10/20 0.39
▸ CDK4 P11802 4/20 0.39
▸ CDK1 P06493 3/20 0.39
▸ CDK6 Q00534 7/20 0.38
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37

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
SCHEMBL27035006 1.00 CDK2 (0.42) CDK2CCNE1GPR119CCND1CDK4
SCHEMBL27035011 0.81 CCNE1 (0.41) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL30761934 0.81 CCNE1 (0.41) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL27034821 0.79 GPR119 (0.42) CDK2CCNE1GPR119CCND1CDK4
SCHEMBL30768103 0.79 GPR119 (0.42) CDK2CCNE1GPR119CCND1CDK4
SCHEMBL27060629 0.79 CCNE1 (0.46) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL30761989 0.79 CCNE1 (0.46) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL30726210 0.72 GPR119 (0.43) CDK2CCNE1GPR119CCND1CDK4
SCHEMBL27033325 0.72 GPR119 (0.43) CDK2CCNE1GPR119CCND1CDK4
SCHEMBL30726192 0.72 CDK2 (0.42) CDK2CCNE1GPR119CCND1CDK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558502-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 — — EP disclosed
CN-120051470-A Azaquinazoline compounds and methods of use 依安彼克医疗有限公司 2025-05-27 — — CN disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
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