SCHEMBL20184679

SCHEMBL20184679

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.56
JAK2 O60674 10/20 0.56
MAP4K1 Q92918 1/20 0.37
PRKAB2 O43741 4/20 0.37
PRKAG1 P54619 4/20 0.37
PRKAA2 P54646 4/20 0.37
PRKAA1 Q13131 4/20 0.37
PRKAG3 Q9UGI9 4/20 0.37
PRKAG2 Q9UGJ0 4/20 0.37
PRKAB1 Q9Y478 4/20 0.37
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL20184377 0.88 JAK3 (0.56) JAK3JAK2
SCHEMBL20184408 0.87 JAK3 (0.43) JAK3JAK2PRKAB2PRKAG1PRKAA2
SCHEMBL20184515 0.86 JAK3 (0.56) JAK3JAK2MAP4K1
SCHEMBL20184700 0.84 JAK2 (0.40) JAK3JAK2PRKAB2PRKAG1PRKAA2
SCHEMBL20184536 0.84 JAK3 (0.47) JAK3JAK2
SCHEMBL20184581 0.83 JAK3 (0.43) JAK3JAK2
SCHEMBL20184478 0.83 JAK2 (0.53) JAK3JAK2PDE4BPDE4D
SCHEMBL20184524 0.81 JAK3 (0.59) JAK3
SCHEMBL20184601 0.81 JAK3 (0.59) JAK3JAK2
SCHEMBL20184672 0.81 JAK2 (0.54) 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