SCHEMBL27166380

SCHEMBL27166380

CSc1ncc(C2(C(=O)O)CC2)c(NC2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GABBR2 O75899 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GABBR1 Q9UBS5 1/20 0.45
▸ MERTK Q12866 1/20 0.42
▸ HCAR3 P49019 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ SYK P43405 4/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL27224976 0.89 MAPK8 (0.43) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL25122796 0.84 ALDH1A1 (0.41) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL1226594 0.80 MEN1 (0.49) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL2622287 0.77 MEN1 (0.49) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL26161013 0.77 SYK (0.49) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL31360665 0.77 MEN1 (0.49) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL22174935 0.77 MEN1 (0.46) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL4715183 0.76 MEN1 (0.45) MEN1KMT2AGABBR2CYP1A2CYP2C9
SCHEMBL27224889 0.75 JAK1 (0.44) MEN1KMT2AMERTKSYKJAK3
SCHEMBL23340833 0.75 SYK (0.58) SYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 — — CN disclosed
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
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