SCHEMBL27061979

SCHEMBL27061979

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.51
▸ CCNE1 P24864 19/20 0.51
▸ CCND1 P24385 12/20 0.50
▸ CDK6 Q00534 11/20 0.50
▸ CDK4 P11802 8/20 0.50
▸ CCNT1 O60563 7/20 0.50
▸ CDK9 P50750 7/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK1 P06493 1/20 0.48

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
SCHEMBL30804785 0.91 CDK2 (0.53) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061762 0.91 CDK2 (0.53) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061753 0.90 CDK2 (0.55) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061760 0.88 CDK2 (0.52) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061977 0.87 CDK2 (0.56) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30804788 0.87 CDK2 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061913 0.87 CDK2 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30726224 0.86 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27033611 0.86 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061975 0.85 CDK2 (0.47) 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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