SCHEMBL20622108

SCHEMBL20622108

NC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)cncc2c1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.47
▸ RPS6KB1 P23443 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ STAT6 P42226 1/20 0.39

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
SCHEMBL20622113 0.84 CNR2 (0.47) CNR2RPS6KB1PKMAURKACNR1
SCHEMBL20621895 0.83 CNR2 (0.47) CNR2RPS6KB1PKMAURKACNR1
SCHEMBL20621869 0.81 HAVCR2 (0.42) RPS6KB1PTPN11
SCHEMBL20600383 0.79 CNR2 (0.38) CNR2PKMCNR1MEN1KMT2A
SCHEMBL29438254 0.79 CNR2 (0.38) CNR2PKMCNR1MEN1KMT2A
SCHEMBL20621754 0.77 PTPN11 (0.39) CNR2RPS6KB1PTPN11
SCHEMBL23531192 0.75 CNR2 (0.53) CNR2CNR1PTPN11HTR2C
SCHEMBL29834268 0.75 CNR2 (0.53) CNR2CNR1PTPN11HTR2C
SCHEMBL20600323 0.74 CNR2 (0.47) CNR2PKMCNR1MEN1KMT2A
SCHEMBL30824248 0.74 CNR2 (0.47) CNR2PKMCNR1MEN1KMT2A

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
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 — — WO disclosed
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