SCHEMBL20184593

SCHEMBL20184593

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.48
JAK3 P52333 9/20 0.44
JAK2 O60674 8/20 0.44
NEK1 Q96PY6 3/20 0.43
AXL P30530 2/20 0.43
CDK8 P49336 1/20 0.42
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
DHFR P00374 1/20 0.40
GPR119 Q8TDV5 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
SCHEMBL20184417 0.88 DYRK1A (0.45) JAK3JAK2AXLCDK8
SCHEMBL20184387 0.88 GPR84 (0.45) GPR84JAK3JAK2
SCHEMBL20184518 0.87 PRKAB2 (0.48) JAK3JAK2
SCHEMBL20184548 0.86 JAK3 (0.53) JAK3JAK2
SCHEMBL20184551 0.86 JAK3 (0.53) JAK3JAK2
SCHEMBL20184525 0.85 JAK2 (0.49) GPR84JAK3JAK2AXL
SCHEMBL20184478 0.85 JAK2 (0.53) JAK3JAK2
SCHEMBL20184581 0.85 JAK3 (0.43) JAK3JAK2
SCHEMBL20184599 0.85 JAK3 (0.53) JAK3JAK2
SCHEMBL20184383 0.84 JAK3 (0.49) 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