SCHEMBL20184489

SCHEMBL20184489

CCc1nc(-c2ccc(-c3ccccc3)cc2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.51
JAK3 P52333 9/20 0.51
CAMKK2 Q96RR4 3/20 0.44
SGK1 O00141 2/20 0.44
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
DHODH Q02127 3/20 0.39
AXL P30530 1/20 0.38
GPR84 Q9NQS5 3/20 0.37

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
SCHEMBL20184525 0.97 JAK2 (0.49) JAK2JAK3CAMKK2SGK1PRKAB2
SCHEMBL20184527 0.90 JAK2 (0.49) JAK2JAK3CAMKK2SGK1DHODH
SCHEMBL20184337 0.90 JAK2 (0.43) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184700 0.89 JAK2 (0.40) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184398 0.89 JAK2 (0.51) JAK2JAK3
SCHEMBL20184555 0.89 HSP90AB1 (0.43) JAK2JAK3CAMKK2SGK1DHODH
SCHEMBL20184672 0.88 JAK2 (0.54) JAK2JAK3CAMKK2SGK1DHODH
SCHEMBL20184582 0.87 JAK2 (0.52) JAK2JAK3CAMKK2SGK1PRKAB2
SCHEMBL20184673 0.87 JAK2 (0.53) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184538 0.87 JAK2 (0.39) JAK2JAK3CAMKK2SGK1PRKAB2

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