SCHEMBL20184518

SCHEMBL20184518

CCc1nc(-c2cccc(OC)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
JAK2 O60674 4/20 0.45
JAK3 P52333 4/20 0.45
PIN1 Q13526 1/20 0.42
PLK1 P53350 1/20 0.42
DHODH Q02127 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL20184682 0.89 JAK3 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20184383 0.88 JAK3 (0.49) JAK2JAK3DHODH
SCHEMBL20184593 0.87 GPR84 (0.48) JAK2JAK3
SCHEMBL20184456 0.87 JAK2 (0.61) JAK2JAK3DHODHSMN1; SMN2
SCHEMBL20184673 0.87 JAK2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20184724 0.86 JAK3 (0.61) JAK2JAK3DHODHHSD17B10
SCHEMBL20184548 0.86 JAK3 (0.53) JAK2JAK3DHODHMAPT
SCHEMBL20184551 0.86 JAK3 (0.53) JAK2JAK3PIN1DHODHMAPT
SCHEMBL20184525 0.85 JAK2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20184478 0.85 JAK2 (0.53) JAK2JAK3PIN1DHODHADORA3

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