SCHEMBL20184585

SCHEMBL20184585

C=CC(=O)Nc1cc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.61
BTK Q06187 2/20 0.45
JAK2 O60674 1/20 0.41
FGFR4 P22455 6/20 0.39
LTB4R Q15722 1/20 0.38
EGFR P00533 3/20 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
SCHEMBL20184586 0.88 JAK3 (0.60) JAK3BTKJAK2
SCHEMBL20184333 0.88 JAK3 (0.61) JAK3
SCHEMBL20184601 0.87 JAK3 (0.59) JAK3BTKJAK2FGFR4EGFR
SCHEMBL20184574 0.83 JAK3 (0.79) JAK3BTKJAK2
SCHEMBL20184567 0.81 JAK3 (0.58) JAK3BTKJAK2EGFR
SCHEMBL20184325 0.78 JAK3 (0.59) JAK3BTKJAK2FGFR4
SCHEMBL20184673 0.77 JAK2 (0.53) JAK3JAK2
SCHEMBL16245250 0.76 JAK3 (1.00) JAK3JAK2
SCHEMBL20184518 0.76 PRKAB2 (0.48) JAK3JAK2
SCHEMBL20184684 0.75 JAK3 (0.60) JAK3

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