SCHEMBL20184704

SCHEMBL20184704

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

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.59
JAK2 O60674 4/20 0.49
AURKA O14965 3/20 0.43
JAK1 P23458 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
SCHEMBL20184521 0.92 JAK3 (0.59) JAK3JAK2AURKAJAK1
SCHEMBL20184508 0.92 JAK3 (0.59) JAK3JAK2AURKAJAK1
SCHEMBL20184539 0.91 JAK3 (0.51) JAK3JAK2AURKAJAK1
SCHEMBL20184680 0.90 JAK3 (0.49) JAK3JAK2JAK1
SCHEMBL20184567 0.89 JAK3 (0.58) JAK3JAK2AURKAJAK1
SCHEMBL20184557 0.88 JAK3 (0.47) JAK3JAK2AURKAJAK1
SCHEMBL16245267 0.88 JAK3 (0.62) JAK3JAK2
SCHEMBL20184523 0.88 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL16245266 0.88 JAK3 (0.62) JAK3JAK2
SCHEMBL20184322 0.87 JAK3 (0.62) JAK3JAK2AURKAJAK1

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