SCHEMBL20184586

SCHEMBL20184586

C=CC(=O)Nc1cc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.60
JAK2 O60674 3/20 0.43
HSP90AB1 P08238 1/20 0.36
BTK Q06187 2/20 0.35
ITK Q08881 1/20 0.35
MTOR P42345 1/20 0.35
BLK P51451 1/20 0.35
BMX P51813 1/20 0.35

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
SCHEMBL20184601 0.90 JAK3 (0.59) JAK3JAK2BTKITK
SCHEMBL20184585 0.88 JAK3 (0.61) JAK3JAK2BTK
SCHEMBL20184684 0.87 JAK3 (0.60) JAK3
SCHEMBL20184356 0.86 JAK3 (0.51) JAK3JAK2HSP90AB1
SCHEMBL20184567 0.84 JAK3 (0.58) JAK3JAK2BTKITK
SCHEMBL20184689 0.82 JAK3 (0.78) JAK3JAK2
SCHEMBL20184325 0.82 JAK3 (0.59) JAK3JAK2HSP90AB1BTKITK
SCHEMBL20184464 0.81 JAK3 (0.39) JAK3JAK2HSP90AB1
SCHEMBL20184377 0.81 JAK3 (0.56) JAK3JAK2HSP90AB1
SCHEMBL20184337 0.78 JAK2 (0.43) JAK3JAK2HSP90AB1

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