SCHEMBL30615461

SCHEMBL30615461

O=c1[nH]c2ccncc2n1-c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.49
▸ TNKS O95271 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ PGR P06401 3/20 0.42
▸ GABRP O00591 5/20 0.40
▸ GABRD O14764 5/20 0.40
▸ GABRA1 P14867 5/20 0.40
▸ GABRB1 P18505 5/20 0.40
▸ GABRG2 P18507 5/20 0.40
▸ GABRB3 P28472 5/20 0.40
▸ GABRA5 P31644 5/20 0.40
▸ GABRA3 P34903 5/20 0.40
▸ GABRA2 P47869 5/20 0.40
▸ GABRB2 P47870 5/20 0.40
▸ GABRA4 P48169 5/20 0.40
▸ GABRE P78334 5/20 0.40
▸ GABRA6 Q16445 5/20 0.40
▸ GABRG1 Q8N1C3 5/20 0.40
▸ GABRG3 Q99928 5/20 0.40
▸ GABRQ Q9UN88 5/20 0.40

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
SCHEMBL21463894 1.00 DAO (0.49) DAOTNKSADORA3PGRGABRP
SCHEMBL30615654 0.81 GABRP (0.52) DAOADORA3PGRGABRPGABRD
SCHEMBL1699090 0.81 DAO (0.62) DAOTNKSMEN1KMT2ALMNA
SCHEMBL30615357 0.77 PRKCQ (0.51) DAOADORA3KMT2AGRIN1GRIN2B
SCHEMBL30615399 0.76 DAO (0.47) DAOTNKSGABRPGABRDGABRA1
SCHEMBL21463944 0.76 TNKS (0.44) DAOTNKSKMT2ALMNAGRIN1
SCHEMBL30615344 0.76 TNKS (0.44) DAOTNKSKMT2ALMNAGRIN1
SCHEMBL16657379 0.74 DAO (0.54) DAOPGRGABRPGABRDGABRA1
SCHEMBL16456362 0.74 DAO (0.54) DAOTNKSMEN1KMT2AACHE
SCHEMBL30565799 0.72 NTRK1 (0.56) DAOTNKSMEN1KMT2ALMNA

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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