SCHEMBL30768098

SCHEMBL30768098

Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(Br)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.56
▸ CDK2 P24941 20/20 0.56
▸ CCND1 P24385 15/20 0.56
▸ CDK6 Q00534 15/20 0.56
▸ CCNT1 O60563 7/20 0.56
▸ CDK9 P50750 7/20 0.56
▸ CDK4 P11802 6/20 0.56
▸ CCNB2 O95067 2/20 0.53
▸ CCNE2 O96020 2/20 0.53
▸ CDK1 P06493 2/20 0.53
▸ CCNB1 P14635 2/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ CDK5R1 Q15078 2/20 0.53
▸ CCNB3 Q8WWL7 2/20 0.53
▸ CCND3 P30281 1/20 0.53

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
SCHEMBL27034859 1.00 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27033634 0.87 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726194 0.87 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26340951 0.81 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26340852 0.81 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27060415 0.80 CCNE1 (0.50) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30761962 0.80 CCNE1 (0.50) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30768109 0.80 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27034820 0.80 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726238 0.79 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1

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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