SCHEMBL31363541

SCHEMBL31363541

Cc1cncc(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.47
ATR Q13535 1/20 0.46
NAMPT P43490 1/20 0.43
CYP17A1 P05093 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL27365853 0.82 NAMPT (0.39) LCKATRNAMPTCYP17A1CA12
SCHEMBL3131919 0.81 LCK (0.60) LCKCA12CA1CA9
SCHEMBL20865564 0.81 LCK (0.50) LCKATRCYP17A1CA12CA1
SCHEMBL24574915 0.81 LCK (0.60) LCKATR
SCHEMBL5779547 0.80 NAMPT (0.39) LCKATRNAMPTCYP17A1CA12
SCHEMBL17208821 0.80 ATR (0.51) LCKATRNAMPTCYP17A1
SCHEMBL17528556 0.80 LCK (0.49) LCKATRCA12CA1CA9
SCHEMBL31363315 0.79 LCK (0.42) LCKATRCA12CA1CA9
SCHEMBL30830461 0.79 LCK (0.48) LCKATRCA12CA1CA9
SCHEMBL25243093 0.79 LCK (0.62) LCKCA12CA1CA9

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed