SCHEMBL31073178

SCHEMBL31073178

CSc1ncc2cc3n(c2n1)C1(CCCCC1)CNC3=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.55
▸ CDK4 P11802 17/20 0.55
▸ CCND1 P24385 17/20 0.55
▸ CCNE1 P24864 9/20 0.55
▸ CCND3 P30281 4/20 0.55
▸ CDK6 Q00534 4/20 0.55
▸ CCNT1 O60563 3/20 0.55
▸ CDK9 P50750 3/20 0.55
▸ CCNA2 P20248 1/20 0.55
▸ TTK P33981 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ CCNH P51946 1/20 0.51
▸ NEK10 Q6ZWH5 1/20 0.51
▸ ULK2 Q8IYT8 1/20 0.51
▸ NUAK2 Q9H093 1/20 0.51

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
SCHEMBL20957562 1.00 CDK2 (0.55) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL21014427 0.83 CDK2 (0.56) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570112 0.83 CDK2 (0.66) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570004 0.82 CDK2 (0.63) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL15249224 0.82 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL31252716 0.82 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL16081518 0.81 CDK2 (0.61) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL4549860 0.81 CDK2 (0.56) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL20957566 0.81 CDK2 (0.59) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL31073106 0.81 CDK2 (0.59) CDK2CDK4CCND1CCNE1CCND3

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 — — WO disclosed
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