SCHEMBL31145341

SCHEMBL31145341

CCc1cc(C2CC2)cc2c1c(NC)nc(=O)n2-c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 10/20 0.55
▸ C5AR1 P21730 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ APLNR P35414 1/20 0.33
▸ XIAP P98170 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PIK3CD O00329 1/20 0.31

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
SCHEMBL22093178 1.00 MAT2A (0.55) MAT2AC5AR1ALDH1A1KDM4EGLA
SCHEMBL22093318 0.85 MAT2A (0.42) MAT2AC5AR1ALDH1A1KDM4EGLA
SCHEMBL31145596 0.85 MAT2A (0.42) MAT2AC5AR1ALDH1A1KDM4EGLA
SCHEMBL22093440 0.85 MAT2A (0.64) MAT2AALDH1A1KDM4EHPGDKLK7
SCHEMBL29570934 0.85 MAT2A (0.64) MAT2AALDH1A1KDM4EHPGDKLK7
SCHEMBL22103151 0.83 MAT2A (0.49) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL31145547 0.81 MAT2A (0.69) MAT2A
SCHEMBL22093969 0.81 MAT2A (0.69) MAT2A
SCHEMBL31145360 0.77 MAT2A (0.45) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL22093456 0.77 MAT2A (0.45) MAT2AALDH1A1KDM4EGLAGAA

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-119528824-A 2-Oxo quinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2025-02-28 — — CN disclosed
CN-113166078-B 2-Oxo quinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2024-11-19 — — CN disclosed
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