SCHEMBL22103715

SCHEMBL22103715

CCCNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)cc(OC)c12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 13/20 0.51
▸ TLR7 Q9NYK1 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22093507 0.91 MAT2A (0.50) MAT2AABCG2BRD4ALDH1A1
SCHEMBL22093252 0.91 MAT2A (0.50) MAT2ATLR7CYP1A2ABCG2ALDH1A1
SCHEMBL29570761 0.91 MAT2A (0.50) MAT2ATLR7CYP1A2ABCG2ALDH1A1
SCHEMBL22103390 0.87 MAT2A (0.50) MAT2ATLR7ABCG2BRD4
SCHEMBL29570999 0.87 MAT2A (0.55) MAT2AABCG2
SCHEMBL22093259 0.87 MAT2A (0.55) MAT2AABCG2
SCHEMBL22093149 0.87 MAT2A (0.49) MAT2AABCG2BRD4
SCHEMBL29571198 0.87 MAT2A (0.49) MAT2AABCG2BRD4
SCHEMBL22093152 0.87 MAT2A (0.49) MAT2AABCG2BRD4
SCHEMBL22093271 0.86 MAT2A (0.48) MAT2ATLR7ABCG2

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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