SCHEMBL27061907

SCHEMBL27061907

CS(=O)(=O)N1CCC(Nc2ncc3cccc(N4CCC5(C4)CS(=O)(=O)C5)c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.47
▸ CCNE1 P24864 18/20 0.47
▸ CCND1 P24385 11/20 0.44
▸ CDK6 Q00534 10/20 0.44
▸ CDK4 P11802 8/20 0.44
▸ CCNT1 O60563 7/20 0.44
▸ CDK9 P50750 7/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ IKBKB O14920 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
SCHEMBL27033611 0.91 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30726224 0.91 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061913 0.90 CDK2 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30804788 0.90 CDK2 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061912 0.89 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061905 0.89 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061975 0.89 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30804796 0.88 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061972 0.88 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061974 0.88 CDK2 (0.48) 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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