SCHEMBL20184602

SCHEMBL20184602

CCc1nc(-c2cccc(NC(=O)/C=C/c3cccnc3)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.52
JAK2 O60674 3/20 0.46
NAMPT P43490 8/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PLCG1 P19174 1/20 0.42

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
SCHEMBL20184322 0.91 JAK3 (0.62) JAK3JAK2
SCHEMBL20184370 0.86 MMP1 (0.50) JAK3JAK2NPC1RAB9A
SCHEMBL20184588 0.85 MMP2 (0.52) JAK3JAK2NPC1RAB9A
SCHEMBL20184521 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184508 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184418 0.85 JAK3 (0.64) JAK3JAK2
SCHEMBL20184526 0.85 JAK3 (0.51) JAK3JAK2
SCHEMBL20184539 0.85 JAK3 (0.51) JAK3JAK2
SCHEMBL20184704 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184590 0.84 JAK3 (0.64) JAK3JAK2NAMPTNPC1RAB9A

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-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP claimed