SCHEMBL21964595

SCHEMBL21964595

O=Nc1cc(C(=O)Cl)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.34
DAO P14920 1/20 0.34
MAPK1 P28482 1/20 0.32
CYTH3 O43739 1/20 0.32
BTK Q06187 1/20 0.32
EPN1 Q9Y6I3 1/20 0.32
HCAR3 P49019 1/20 0.32

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
SCHEMBL21961444 0.76 BAZ2B (0.39) HCAR2DAOMAPK1
SCHEMBL22939364 0.72
SCHEMBL1245535 0.72 MAPK1 (0.47) HCAR2DAOMAPK1CYTH3BTK
SCHEMBL4420054 0.71
SCHEMBL21960941 0.69 NPC1 (0.38) HCAR2
SCHEMBL11215462 0.67 KMT2A (0.46) HCAR2DAO
SCHEMBL3053796 0.67 ALOX15 (0.51) MAPK1
SCHEMBL18464503 0.66
SCHEMBL28155997 0.66
SCHEMBL5013388 0.65 HPGD (0.52) HCAR2DAOMAPK1CYTH3BTK

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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed