SCHEMBL20184478

SCHEMBL20184478

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.53
JAK3 P52333 5/20 0.53
PDE4B Q07343 7/20 0.47
PDE4D Q08499 4/20 0.47
PIN1 Q13526 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER4 P35408 1/20 0.39
DHODH Q02127 1/20 0.39
DCLRE1B Q9H816 1/20 0.39
KMO O15229 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL20184551 0.88 JAK3 (0.53) JAK2JAK3PIN1DHODHKMO
SCHEMBL20184548 0.88 JAK3 (0.53) JAK2JAK3DHODH
SCHEMBL20184525 0.87 JAK2 (0.49) JAK2JAK3
SCHEMBL20184599 0.87 JAK3 (0.53) JAK2JAK3PIN1DHODHDCLRE1B
SCHEMBL20184581 0.87 JAK3 (0.43) JAK2JAK3
SCHEMBL20184700 0.86 JAK2 (0.40) JAK2JAK3DHODH
SCHEMBL20184417 0.86 DYRK1A (0.45) JAK2JAK3PDE4BDHODH
SCHEMBL20184489 0.85 JAK2 (0.51) JAK2JAK3DHODH
SCHEMBL20184593 0.85 GPR84 (0.48) JAK2JAK3
SCHEMBL20184518 0.85 PRKAB2 (0.48) JAK2JAK3PIN1DHODHADORA3

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