SCHEMBL20184682

SCHEMBL20184682

CCc1nc(-c2cccc(OC(F)F)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.43
JAK2 O60674 9/20 0.43
PDE4B Q07343 5/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
DHODH Q02127 1/20 0.36
UTRN P46939 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
SCHEMBL20184383 0.89 JAK3 (0.49) JAK3JAK2PDE4BDHODH
SCHEMBL20184518 0.89 PRKAB2 (0.48) JAK3JAK2PRKAB2PRKAG1PRKAA2
SCHEMBL20184724 0.85 JAK3 (0.61) JAK3JAK2DHODH
SCHEMBL20184456 0.84 JAK2 (0.61) JAK3JAK2DHODH
SCHEMBL20184599 0.84 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184548 0.83 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184551 0.83 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184525 0.83 JAK2 (0.49) JAK3JAK2PRKAB2PRKAG1PRKAA2
SCHEMBL20184593 0.82 GPR84 (0.48) JAK3JAK2
SCHEMBL20184581 0.82 JAK3 (0.43) 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