SCHEMBL20184582

SCHEMBL20184582

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.52
JAK3 P52333 8/20 0.52
PRNP P04156 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TOP1 P11387 2/20 0.36
DDX3X O00571 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PRKAG1 P54619 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MAP2K7 O14733 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
ENPP2 Q13822 1/20 0.33
SGK1 O00141 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL20184337 0.87 JAK2 (0.43) JAK2JAK3HSP90AB1PRKAG1PRKAA1
SCHEMBL20184489 0.87 JAK2 (0.51) JAK2JAK3PRKAG1PRKAA1PRKAB1
SCHEMBL20184527 0.87 JAK2 (0.49) JAK2JAK3HSP90AB1SGK1CAMKK2
SCHEMBL20184525 0.87 JAK2 (0.49) JAK2JAK3PRKAG1PRKAA1PRKAB1
SCHEMBL20184517 0.86 CYP3A4 (0.40) JAK2JAK3
SCHEMBL20184700 0.86 JAK2 (0.40) JAK2JAK3PTGDR2PRKAG1PRKAA1
SCHEMBL20184555 0.86 HSP90AB1 (0.43) JAK2JAK3HSP90AB1SGK1CAMKK2
SCHEMBL20184357 0.84 CHUK (0.47) JAK2JAK3PRKAA1CAMKK2
SCHEMBL20184673 0.84 JAK2 (0.53) JAK2JAK3PTGDR2PRKAG1PRKAA1
SCHEMBL20184538 0.84 JAK2 (0.39) JAK2JAK3HSP90AB1PRKAG1PRKAA1

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