SCHEMBL30768112

SCHEMBL30768112

COC(=O)C1(C)CC(c2nc(C)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc23)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.46
CCND1 P24385 18/20 0.46
CCNE1 P24864 13/20 0.46
CDK4 P11802 11/20 0.46
CDK6 Q00534 11/20 0.46
CCNT1 O60563 3/20 0.46
CDK9 P50750 3/20 0.46
CDK1 P06493 7/20 0.46
CCND3 P30281 2/20 0.44

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
SCHEMBL27033522 1.00 CDK2 (0.46) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL27034843 0.86 CCNE1 (0.48) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL30761987 0.86 CCNE1 (0.48) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL30762011 0.85 CCNE1 (0.50) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL27034842 0.85 CCNE1 (0.50) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL30761998 0.83 CCNE1 (0.50) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL27034846 0.83 CCNE1 (0.50) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL30761989 0.80 CCNE1 (0.46) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL27060629 0.80 CCNE1 (0.46) CDK2CCND1CCNE1CDK4CDK6
SCHEMBL30761965 0.79 CCNE1 (0.44) CDK2CCND1CCNE1CDK4CDK6

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-4558502-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed