SCHEMBL20184536

SCHEMBL20184536

CCc1nc(-c2ccc(COC)c(N)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.47
JAK2 O60674 16/20 0.47
TYMS P04818 2/20 0.37
NEK2 P51955 1/20 0.36

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
SCHEMBL20184515 0.89 JAK3 (0.56) JAK3JAK2
SCHEMBL20184377 0.85 JAK3 (0.56) JAK3JAK2
SCHEMBL20184408 0.84 JAK3 (0.43) JAK3JAK2
SCHEMBL20184564 0.84 JAK3 (0.63) JAK3JAK2
SCHEMBL20184679 0.84 JAK3 (0.56) JAK3JAK2
SCHEMBL20184527 0.80 JAK2 (0.49) JAK3JAK2
SCHEMBL20184581 0.79 JAK3 (0.43) JAK3JAK2
SCHEMBL20184673 0.79 JAK2 (0.53) JAK3JAK2
SCHEMBL20184672 0.78 JAK2 (0.54) JAK3JAK2
SCHEMBL20184548 0.78 JAK3 (0.53) 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