SCHEMBL20184700

SCHEMBL20184700

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.40
JAK3 P52333 9/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
NOTUM Q6P988 1/20 0.36
PPARA Q07869 1/20 0.36
CDH1 P12830 1/20 0.36
APC P25054 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
DHODH Q02127 1/20 0.36
RXRA P19793 1/20 0.35

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 0.89 JAK2 (0.43) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184489 0.89 JAK2 (0.51) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184527 0.89 JAK2 (0.49) JAK2JAK3DHODHPLTP
SCHEMBL20184525 0.89 JAK2 (0.49) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184555 0.88 HSP90AB1 (0.43) JAK2JAK3DHODH
SCHEMBL20184478 0.86 JAK2 (0.53) JAK2JAK3DHODH
SCHEMBL20184357 0.86 CHUK (0.47) JAK2JAK3PRKAA1
SCHEMBL20184673 0.86 JAK2 (0.53) JAK2JAK3PTGDR2PRKAB2PRKAG1
SCHEMBL20184538 0.86 JAK2 (0.39) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184582 0.86 JAK2 (0.52) JAK2JAK3PTGDR2PRKAB2PRKAG1

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