SCHEMBL21961447

SCHEMBL21961447

CNC(=O)c1cc(N=O)n(C2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.41
▸ PDE7A Q13946 8/20 0.40
▸ BRD4 O60885 4/20 0.36
▸ MAP3K14 Q99558 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ RET P07949 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ APLNR P35414 1/20 0.33

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
SCHEMBL21960344 0.80 PDE7A (0.43) BAZ2BPDE7ABRD4RETKDR
SCHEMBL21960888 0.76 BAZ2B (0.39) BAZ2BPDE7ABRD4MAP3K14HRH3
SCHEMBL20489182 0.71 BRD4 (0.45) BAZ2BPDE7ABRD4BRD2BRD3
SCHEMBL21960357 0.69 PDE7A (0.44) PDE7AMAP3K14RETKDR
SCHEMBL21961452 0.64 ALDH1A1 (0.38) PDE7ABRD4
SCHEMBL26416280 0.64 PKM (0.47) PDE7ABRD4
SCHEMBL24208422 0.63 HCAR3 (0.43) PDE7A
SCHEMBL853429 0.62 PDE7A (0.77) PDE7A
SCHEMBL2323117 0.62 HCAR3 (0.42) —
SCHEMBL21964588 0.62 HCAR3 (0.40) PDE7A

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
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