SCHEMBL20184720

SCHEMBL20184720

C=CC(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.77
JAK2 O60674 4/20 0.52
BTK Q06187 9/20 0.51
BMX P51813 2/20 0.51
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
ITK Q08881 1/20 0.47
ERBB4 Q15303 1/20 0.47
JAK1 P23458 1/20 0.43

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
SCHEMBL16245183 0.87 JAK3 (1.00) JAK3JAK2
SCHEMBL20184510 0.87 JAK3 (0.59) JAK3BTKJAK1
SCHEMBL20184325 0.82 JAK3 (0.59) JAK3JAK2BTKBMXTEC
SCHEMBL20184689 0.80 JAK3 (0.78) JAK3JAK2
SCHEMBL20184457 0.78 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184436 0.77 JAK3 (0.57) JAK3JAK2BTK
SCHEMBL20184433 0.76 JAK3 (0.75) JAK3JAK2BTKITK
SCHEMBL20184574 0.76 JAK3 (0.79) JAK3JAK2BTK
SCHEMBL20184606 0.76 JAK3 (0.55) JAK3JAK1
SCHEMBL15032930 0.75 JAK3 (0.78) JAK3JAK2JAK1

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