SCHEMBL31229545

SCHEMBL31229545

CN(c1cccc(C#CC(C)(O)C2CCC2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.34
MAT2A P31153 1/20 0.32
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL24721450 1.00 MAP3K14 (0.34) MAP3K14MAT2AFNTAFNTB
SCHEMBL23601415 0.97 MAT2A (0.32) MAP3K14MAT2AFNTAFNTB
SCHEMBL30979079 0.90 MAT2A (0.32) MAP3K14MAT2AFNTAFNTB
SCHEMBL23601351 0.89 MAT2A (0.33) MAT2AFNTAFNTB
SCHEMBL29909831 0.89 MAT2A (0.33) MAT2AFNTAFNTB
SCHEMBL23601039 0.89 PTGES (0.36) MAP3K14MAT2AFNTAFNTB
SCHEMBL23601040 0.87 FNTA (0.34) MAP3K14MAT2AFNTAFNTB
SCHEMBL24721442 0.87 FNTA (0.31) MAP3K14MAT2AFNTAFNTB
SCHEMBL23576784 0.87 FNTA (0.31) MAP3K14MAT2AFNTAFNTB
SCHEMBL23576786 0.87 FNTA (0.31) MAP3K14MAT2AFNTAFNTB

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
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed