SCHEMBL20184408

SCHEMBL20184408

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.43
JAK2 O60674 13/20 0.43
HSP90AB1 P08238 1/20 0.37
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 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
SCHEMBL20184377 0.88 JAK3 (0.56) JAK3JAK2HSP90AB1
SCHEMBL20184679 0.87 JAK3 (0.56) JAK3JAK2PRKAB2PRKAG1PRKAA2
SCHEMBL20184515 0.86 JAK3 (0.56) JAK3JAK2
SCHEMBL20184555 0.84 HSP90AB1 (0.43) JAK3JAK2HSP90AB1
SCHEMBL20184670 0.84 HSP90AB1 (0.42) JAK3JAK2HSP90AB1
SCHEMBL20184536 0.84 JAK3 (0.47) JAK3JAK2
SCHEMBL20184581 0.83 JAK3 (0.43) JAK3JAK2
SCHEMBL20184599 0.83 JAK3 (0.53) JAK3JAK2HSP90AB1
SCHEMBL20184700 0.82 JAK2 (0.40) JAK3JAK2PRKAB2PRKAG1PRKAA2
SCHEMBL20184554 0.82 JAK3 (0.39) 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