SCHEMBL22103714

SCHEMBL22103714

COc1cc(C(F)(F)F)cc2c1c(NC1CCC1)nc(=O)n2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 11/20 0.49
▸ AGER Q15109 1/20 0.39
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ WHR1 P49842 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK4 Q9HAZ1 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
SCHEMBL22103357 0.96 MAT2A (0.51) MAT2AADORA2AADORA1ABCG2USP2
SCHEMBL22093113 0.87 MAT2A (0.49) MAT2AABCG2USP2TSHRHSD17B10
SCHEMBL22103567 0.87 MAT2A (0.49) MAT2AABCG2USP2TSHRHSD17B10
SCHEMBL22103571 0.87 MAT2A (0.49) MAT2AABCG2USP2TSHRHSD17B10
SCHEMBL22093111 0.87 MAT2A (0.49) MAT2AABCG2USP2TSHRHSD17B10
SCHEMBL22103408 0.87 MAT2A (0.49) MAT2AABCG2USP2TSHRHSD17B10
SCHEMBL22103576 0.87 MAT2A (0.49) MAT2AABCG2USP2TSHRHSD17B10
SCHEMBL22093580 0.86 MAT2A (0.47) MAT2AADORA2AADORA1ABCG2USP2
SCHEMBL22093579 0.86 MAT2A (0.47) MAT2AADORA2AADORA1ABCG2USP2
SCHEMBL22093259 0.85 MAT2A (0.55) MAT2AABCG2

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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