SCHEMBL20184387

SCHEMBL20184387

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
JAK2 O60674 8/20 0.43
JAK3 P52333 8/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SGK1 O00141 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK1 P28482 1/20 0.39
GRK6 P43250 1/20 0.38

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
SCHEMBL20184593 0.88 GPR84 (0.48) GPR84JAK2JAK3
SCHEMBL20184673 0.87 JAK2 (0.53) JAK2JAK3KDM4EALDH1A1
SCHEMBL20184489 0.86 JAK2 (0.51) GPR84JAK2JAK3SGK1CAMKK2
SCHEMBL20184337 0.86 JAK2 (0.43) JAK2JAK3KDM4EALDH1A1
SCHEMBL20184527 0.86 JAK2 (0.49) JAK2JAK3SGK1CAMKK2
SCHEMBL20184525 0.86 JAK2 (0.49) GPR84JAK2JAK3KDM4ESGK1
SCHEMBL20184517 0.85 CYP3A4 (0.40) JAK2JAK3KDM4EALDH1A1MAPK1
SCHEMBL20184555 0.85 HSP90AB1 (0.43) JAK2JAK3SGK1CAMKK2
SCHEMBL20184700 0.85 JAK2 (0.40) JAK2JAK3
SCHEMBL20184538 0.83 JAK2 (0.39) JAK2JAK3SGK1CAMKK2

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 2 patents. 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
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed