SCHEMBL24668643

SCHEMBL24668643

CSc1ncc(C=O)c(NCC(C)(CNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LATS1 O95835 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ LATS2 Q9NRM7 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ FOS P01100 1/20 0.30
▸ JUN P05412 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL13510249 0.81 STK17B (0.47) STK17BSTK17AALDH1A1LATS1HTT
SCHEMBL29678533 0.77 STK17B (0.43) STK17BSTK17AALDH1A1LATS1HTT
SCHEMBL24541513 0.77 STK17B (0.43) STK17BSTK17AALDH1A1LATS1HTT
SCHEMBL24668647 0.75 CCNE2 (0.38) STK17BSTK17AALDH1A1SYKMAPT
SCHEMBL23141901 0.74 ALDH1A1 (0.37) ALDH1A1HTTSYKMAPTSMN1; SMN2
SCHEMBL23142051 0.74 NUDT1 (0.40) ALDH1A1HTTSYKMAPTSMN1; SMN2
SCHEMBL24669084 0.73 ALDH1A1 (0.42) ALDH1A1SYKMAPTLMNA
SCHEMBL24668635 0.72 CDK4 (0.35) HTTCCNA2CDK2
SCHEMBL28492037 0.68 TLR8 (0.49) LMNACCNA2CDK2
SCHEMBL29497515 0.67 SYK (0.55) HTTSYK

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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