SCHEMBL22103628

SCHEMBL22103628

O=c1nc(NC2CCC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 17/20 0.57
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TLR7 Q9NYK1 2/20 0.44

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
SCHEMBL22103363 0.96 MAT2A (0.59) MAT2ATP53MAPTTLR7
SCHEMBL22093438 0.88 MAT2A (0.72) MAT2A
SCHEMBL29571042 0.88 MAT2A (0.72) MAT2A
SCHEMBL22103000 0.85 MAT2A (0.57) MAT2A
SCHEMBL22103546 0.85 MAT2A (0.57) MAT2A
SCHEMBL23583455 0.85 MAT2A (0.57) MAT2A
SCHEMBL30894483 0.85 MAT2A (0.57) MAT2A
SCHEMBL22103169 0.85 MAT2A (0.57) MAT2A
SCHEMBL22093380 0.85 MAT2A (0.57) MAT2A
SCHEMBL22093381 0.85 MAT2A (0.57) MAT2A

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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