SCHEMBL20184526

SCHEMBL20184526

CCc1nc(-c2cccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.51
MAOB P27338 1/20 0.48
MCHR1 Q99705 11/20 0.48
TRPA1 O75762 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
JAK2 O60674 2/20 0.44
TRPM2 O94759 1/20 0.43

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 0.90 JAK3 (0.62) JAK3MAOBJAK2
SCHEMBL20184588 0.88 MMP2 (0.52) JAK3TRPA1JAK2
SCHEMBL20184557 0.87 JAK3 (0.47) JAK3JAK2
SCHEMBL20184602 0.85 JAK3 (0.52) JAK3JAK2
SCHEMBL20184508 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184521 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184603 0.84 JAK3 (0.63) JAK3MAOBMCHR1TRPA1TRPM8
SCHEMBL20184370 0.84 MMP1 (0.50) JAK3JAK2
SCHEMBL20184704 0.84 JAK3 (0.59) JAK3JAK2
SCHEMBL20184539 0.84 JAK3 (0.51) JAK3JAK2

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