SCHEMBL20184538

SCHEMBL20184538

CCc1nc(-c2ccc(C(C)(C)O)cc2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.39
JAK3 P52333 10/20 0.39
PRKAB2 O43741 3/20 0.38
PRKAG1 P54619 3/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAA1 Q13131 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 3/20 0.38
PRKAB1 Q9Y478 3/20 0.38
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL20184415 0.90 JAK2 (0.38) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184400 0.88 JAK3 (0.39) JAK2JAK3SGK1CAMKK2
SCHEMBL20184527 0.87 JAK2 (0.49) JAK2JAK3PARP1HSP90AB1SGK1
SCHEMBL20184489 0.87 JAK2 (0.51) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184337 0.87 JAK2 (0.43) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184525 0.87 JAK2 (0.49) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184700 0.86 JAK2 (0.40) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184555 0.86 HSP90AB1 (0.43) JAK2JAK3HSP90AB1SGK1CAMKK2
SCHEMBL20184673 0.84 JAK2 (0.53) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184582 0.84 JAK2 (0.52) JAK2JAK3PRKAB2PRKAG1PRKAA2

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