SCHEMBL20195280

SCHEMBL20195280

COc1ccc(/C=C/C(=O)Nc2cccc(-c3ncnc4[nH]cc(C(N)=O)c34)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.65
JAK2 O60674 4/20 0.59
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
JAK1 P23458 1/20 0.49

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
SCHEMBL20184367 0.93 JAK3 (0.65) JAK3JAK2MMP2MMP13SMN1; SMN2
SCHEMBL20195310 0.92 JAK3 (0.62) JAK3JAK2MMP2SMN1; SMN2MAPT
SCHEMBL16245383 0.89 JAK3 (0.82) JAK3JAK2JAK1
SCHEMBL16245381 0.89 JAK3 (0.82) JAK3JAK2JAK1
SCHEMBL20184345 0.85 JAK3 (0.62) JAK3JAK2MMP2SMN1; SMN2MAPT
SCHEMBL16245280 0.82 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL16245278 0.82 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL20184485 0.80 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184603 0.79 JAK3 (0.63) JAK3JAK2
SCHEMBL16245215 0.79 JAK3 (1.00) 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 disclosed