SCHEMBL20184436

SCHEMBL20184436

Cc1ccccc1-c1ncnc2[nH]cc(C(=O)O)c12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.57
JAK2 O60674 14/20 0.57
ROCK2 O75116 1/20 0.49
LIMK1 P53667 1/20 0.49
BTK Q06187 2/20 0.45
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44

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
SCHEMBL20184579 0.85 JAK2 (0.52) JAK3JAK2ROCK2LIMK1
SCHEMBL27741653 0.85 HSP90AB1 (0.61) JAK3JAK2ROCK2LIMK1
SCHEMBL20184461 0.84 JAK3 (0.69) JAK3JAK2ROCK2LIMK1BTK
SCHEMBL20184540 0.84 JAK2 (0.51) JAK3JAK2BTK
SCHEMBL16245251 0.84 JAK3 (0.80) JAK3JAK2
SCHEMBL20184432 0.82 JAK3 (0.68) JAK3JAK2ROCK2LIMK1
SCHEMBL20184454 0.80 JAK3 (0.70) JAK3JAK2ROCK2LIMK1
SCHEMBL20184510 0.79 JAK3 (0.59) JAK3BTK
SCHEMBL20184701 0.78 JAK2 (0.61) JAK3JAK2ROCK2LIMK1
SCHEMBL20184405 0.78 HSP90AB1 (0.45) 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