SCHEMBL30721179

SCHEMBL30721179

Nc1ncc(F)cc1C(=O)c1ncncc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.36
▸ CHRNA7 P36544 5/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ ATR Q13535 2/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ KMO O15229 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ EIF2S1 P05198 1/20 0.30
▸ EIF2AK3 Q9NZJ5 1/20 0.30

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
SCHEMBL30721173 0.87 SCN5A (0.31) KMOGLAHPGD
SCHEMBL30721186 0.83 NTRK1 (0.33) METMAP4K4
SCHEMBL30721174 0.81 MGLL (0.35) KMO
SCHEMBL30721176 0.73 NTRK1 (0.33) —
SCHEMBL3258118 0.71 PIK3CB (0.47) JAK2MAP4K4GLAHPGD
SCHEMBL921542 0.71 KEAP1 (0.50) MAP4K4EIF2AK3
SCHEMBL4874417 0.70 PIK3C3 (0.39) METCHRNA7MAP4K4
SCHEMBL31382799 0.70 PIK3C3 (0.39) METCHRNA7MAP4K4
SCHEMBL29966632 0.69 MGLL (0.34) —
SCHEMBL9278316 0.67 MEN1 (0.46) KMO

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
CN-115260105-B Aromatic heterocarbamic acid compound and preparation method and application thereof 启东东岳药业有限公司 2024-01-16 — — CN disclosed
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