SCHEMBL22103580

SCHEMBL22103580

O=c1nc(NC2CC2F)c2cc(Br)c(C3CC3)cc2n1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 18/20 0.51
▸ MAT1A Q00266 1/20 0.35
▸ HCAR1 Q9BXC0 2/20 0.34

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
SCHEMBL22103252 1.00 MAT2A (0.51) MAT2AMAT1AHCAR1
SCHEMBL29570494 1.00 MAT2A (0.51) MAT2AMAT1AHCAR1
SCHEMBL22093224 0.87 MAT2A (0.68) MAT2AHCAR1
SCHEMBL22093222 0.87 MAT2A (0.68) MAT2AHCAR1
SCHEMBL22103255 0.87 MAT2A (0.68) MAT2AHCAR1
SCHEMBL22103256 0.87 MAT2A (0.68) MAT2AHCAR1
SCHEMBL22093838 0.85 MAT2A (0.57) MAT2AHCAR1
SCHEMBL31145512 0.85 MAT2A (0.57) MAT2AHCAR1
SCHEMBL23734087 0.84 MAT2A (0.51) MAT2AMAT1AHCAR1
SCHEMBL22103374 0.84 MAT2A (0.51) MAT2AMAT1AHCAR1

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-2020123395-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-06-18 — — WO disclosed
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