SCHEMBL20184724

SCHEMBL20184724

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.61
JAK2 O60674 9/20 0.61
DHODH Q02127 5/20 0.39
CTSA P10619 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SLC5A1 P13866 2/20 0.37

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) JAK3JAK2DHODH
SCHEMBL20184518 0.86 PRKAB2 (0.48) JAK3JAK2DHODHHSD17B10
SCHEMBL20184456 0.86 JAK2 (0.61) JAK3JAK2DHODH
SCHEMBL20184682 0.85 JAK3 (0.43) JAK3JAK2DHODH
SCHEMBL20184691 0.83 JAK3 (0.77) JAK3JAK2
SCHEMBL20184706 0.82 JAK3 (0.40) JAK3JAK2
SCHEMBL20184599 0.82 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184548 0.81 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184551 0.81 JAK3 (0.53) JAK3JAK2DHODH
SCHEMBL20184525 0.80 JAK2 (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