SCHEMBL20184417

SCHEMBL20184417

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.45
JAK3 P52333 10/20 0.42
JAK2 O60674 9/20 0.42
DHODH Q02127 1/20 0.42
MAPK8 P45983 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL20184593 0.88 GPR84 (0.48) JAK3JAK2AXLCDK8
SCHEMBL20184581 0.88 JAK3 (0.43) JAK3JAK2
SCHEMBL20184357 0.88 CHUK (0.47) JAK3JAK2MAPK8CDC7PLK4
SCHEMBL20184548 0.87 JAK3 (0.53) JAK3JAK2DHODHCHEK1
SCHEMBL20184551 0.87 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184525 0.86 JAK2 (0.49) JAK3JAK2AXLPRKAA1
SCHEMBL20184478 0.86 JAK2 (0.53) JAK3JAK2DHODHPDE4B
SCHEMBL20184599 0.86 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184489 0.84 JAK2 (0.51) JAK3JAK2DHODHAXLPRKAA1
SCHEMBL20184518 0.84 PRKAB2 (0.48) JAK3JAK2DHODHPRKAA1

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