SCHEMBL20184337

SCHEMBL20184337

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.43
JAK3 P52333 12/20 0.43
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HSP90AB1 P08238 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CNR1 P21554 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL20184527 0.90 JAK2 (0.49) JAK2JAK3HSP90AB1IKBKBCHUK
SCHEMBL20184489 0.90 JAK2 (0.51) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184525 0.90 JAK2 (0.49) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184700 0.89 JAK2 (0.40) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184555 0.89 HSP90AB1 (0.43) JAK2JAK3HSP90AB1MAPTCHUK
SCHEMBL20184582 0.87 JAK2 (0.52) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184673 0.87 JAK2 (0.53) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184538 0.87 JAK2 (0.39) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184357 0.87 CHUK (0.47) JAK2JAK3PRKAA1CHUK
SCHEMBL20184387 0.86 GPR84 (0.45) JAK2JAK3KDM4EALDH1A1

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