SCHEMBL27062986

SCHEMBL27062986

COCCN1CCCN(c2cccc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.48
▸ CCNE1 P24864 16/20 0.48
▸ CCND1 P24385 16/20 0.48
▸ CDK6 Q00534 14/20 0.48
▸ CDK4 P11802 11/20 0.48
▸ CCNT1 O60563 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ TTK P33981 1/20 0.46
▸ CDK1 P06493 4/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CCNE2 O96020 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
SCHEMBL27062123 0.97 CDK2 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27174709 0.87 CDK2 (0.46) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30804799 0.87 CDK2 (0.46) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27062987 0.86 CDK2 (0.50) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061753 0.86 CDK2 (0.55) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30804785 0.85 CDK2 (0.53) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061762 0.85 CDK2 (0.53) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061973 0.85 CDK2 (0.45) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061758 0.83 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061760 0.80 CDK2 (0.52) CDK2CCNE1CCND1CDK6CDK4

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-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
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