SCHEMBL20184520

SCHEMBL20184520

CCc1nc(-c2cccc(Nc3ncnc(C#N)n3)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.41
JAK2 O60674 6/20 0.41
SYK P43405 2/20 0.40
JAK1 P23458 1/20 0.39

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
SCHEMBL20184437 0.87 JAK3 (0.47) JAK3JAK2JAK1
SCHEMBL20184344 0.83 JAK3 (0.48) JAK3JAK2JAK1
SCHEMBL16245236 0.82 JAK3 (0.39) JAK3JAK2SYKJAK1
SCHEMBL20184522 0.82 JAK3 (0.37) JAK3JAK2
SCHEMBL20184677 0.80 F11 (0.43) JAK3JAK2
SCHEMBL15032772 0.80 JAK3 (0.64) JAK3JAK2JAK1
SCHEMBL20184688 0.80 JAK3 (0.43) JAK3JAK2JAK1
SCHEMBL20184694 0.79 JAK3 (0.47) JAK3JAK2JAK1
SCHEMBL20184323 0.78 JAK3 (0.41) JAK3JAK2JAK1
SCHEMBL20184497 0.78 HSP90AB1 (0.36) 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