SCHEMBL20184601

SCHEMBL20184601

C=CC(=O)Nc1cc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.59
BTK Q06187 3/20 0.42
ITK Q08881 3/20 0.42
JAK2 O60674 3/20 0.40
MAPKAPK2 P49137 2/20 0.39
EGFR P00533 2/20 0.36
FGFR4 P22455 1/20 0.35

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 0.90 JAK3 (0.60) JAK3BTKITKJAK2
SCHEMBL20184585 0.87 JAK3 (0.61) JAK3BTKJAK2EGFRFGFR4
SCHEMBL20184524 0.87 JAK3 (0.59) JAK3
SCHEMBL20184567 0.83 JAK3 (0.58) JAK3BTKITKJAK2EGFR
SCHEMBL20184433 0.82 JAK3 (0.75) JAK3BTKITKJAK2
SCHEMBL20184679 0.81 JAK3 (0.56) JAK3JAK2
SCHEMBL20184325 0.79 JAK3 (0.59) JAK3BTKITKJAK2FGFR4
SCHEMBL20184478 0.79 JAK2 (0.53) JAK3JAK2
SCHEMBL20184700 0.79 JAK2 (0.40) JAK3JAK2
SCHEMBL20184684 0.77 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