SCHEMBL30283089

SCHEMBL30283089

COc1ccccc1-c1c(=O)nc(N)n2ccc(C(F)(F)F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 17/20 0.54
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46
▸ GABRQ Q9UN88 1/20 0.46
▸ PDE2A O00408 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ ALPL P05186 1/20 0.43

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
SCHEMBL24154771 1.00 MAT2A (0.54) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL25262199 0.86 MAT2A (0.53) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL30319982 0.86 MAT2A (0.53) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL30277843 0.85 MAT2A (0.57) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL24109555 0.85 MAT2A (0.57) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL25259207 0.85 MAT2A (0.53) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL29893575 0.84 MAT2A (0.71) MAT2A
SCHEMBL24109554 0.84 MAT2A (0.71) MAT2A
SCHEMBL24109624 0.80 MAT2A (0.69) MAT2AGABRPGABRDGABRA1GABRB1
SCHEMBL28889269 0.74 MAT2A (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 — — CN claimed
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 — — CN disclosed
Send feedback