SCHEMBL24668647

SCHEMBL24668647

CSc1ncc(C=O)c(NC[C@@H](C)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ SYK P43405 4/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CTSK P43235 2/20 0.32
▸ GLS O94925 1/20 0.32

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
SCHEMBL24668629 0.85 HTT (0.44) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL13510249 0.81 STK17B (0.47) KMT2AALDH1A1KDM4ESTK17BSTK17A
SCHEMBL2944224 0.78 KMT2A (0.38) SYKKMT2AALDH1A1CA1CA2
SCHEMBL2944223 0.78 KMT2A (0.38) SYKKMT2AALDH1A1CA1CA2
SCHEMBL2944222 0.78 KMT2A (0.38) SYKKMT2AALDH1A1CA1CA2
SCHEMBL28734760 0.78 ALDH1A1 (0.36) SYKKMT2AALDH1A1CA1CA2
SCHEMBL29507814 0.78 ALDH1A1 (0.36) SYKKMT2AALDH1A1CA1CA2
SCHEMBL24541513 0.77 STK17B (0.43) ALDH1A1CA1CA2STK17BSTK17A
SCHEMBL29678533 0.77 STK17B (0.43) ALDH1A1CA1CA2STK17BSTK17A
SCHEMBL24668643 0.75 STK17B (0.35) CCNA2CDK2SYKALDH1A1MAPT

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 — — WO disclosed
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