SCHEMBL30615357

SCHEMBL30615357

O=c1[nH]c2ncccc2n1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 11/20 0.51
▸ DAO P14920 1/20 0.50
▸ GRIN1 Q05586 4/20 0.46
▸ GRIN2B Q13224 4/20 0.46
▸ PRKCA P17252 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL16348540 0.89 DAO (0.53) PRKCQDAOGRIN1GRIN2BPRKCA
SCHEMBL11511885 0.82 DAO (0.58) PRKCQDAOPRKCAKMT2AADORA3
SCHEMBL30257859 0.80 DAO (0.55) PRKCQDAOPRKCAADORA3ALDH1A1
SCHEMBL30615567 0.77 DAO (0.47) PRKCQDAOGRIN1GRIN2BPRKCA
SCHEMBL30615537 0.77 PRKCQ (0.48) PRKCQDAOGRIN1GRIN2BPRKCA
SCHEMBL21464054 0.77 PRKCQ (0.48) PRKCQDAOGRIN1GRIN2BPRKCA
SCHEMBL30615338 0.77 PRKCQ (0.48) PRKCQDAOGRIN1GRIN2BPRKCA
SCHEMBL21463894 0.77 DAO (0.49) DAOGRIN1GRIN2BKMT2AADORA3
SCHEMBL30615461 0.77 DAO (0.49) DAOGRIN1GRIN2BKMT2AADORA3
SCHEMBL21463768 0.77 PRKCQ (0.50) PRKCQDAOPRKCAKMT2AALDH1A1

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-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
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