SCHEMBL20184673

SCHEMBL20184673

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.53
JAK3 P52333 6/20 0.53
PRKAB2 O43741 3/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA2 P54646 3/20 0.44
PRKAA1 Q13131 3/20 0.44
PRKAG3 Q9UGI9 3/20 0.44
PRKAG2 Q9UGJ0 3/20 0.44
PRKAB1 Q9Y478 3/20 0.44
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIMK1 P53667 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL20184387 0.87 GPR84 (0.45) JAK2JAK3KDM4EALDH1A1
SCHEMBL20184489 0.87 JAK2 (0.51) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184527 0.87 JAK2 (0.49) JAK2JAK3
SCHEMBL20184337 0.87 JAK2 (0.43) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184518 0.87 PRKAB2 (0.48) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184525 0.87 JAK2 (0.49) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184700 0.86 JAK2 (0.40) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184555 0.86 HSP90AB1 (0.43) JAK2JAK3MAPT
SCHEMBL20184357 0.84 CHUK (0.47) JAK2JAK3PRKAA1
SCHEMBL20184538 0.84 JAK2 (0.39) 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