SCHEMBL20184525

SCHEMBL20184525

CCc1nc(-c2ccccc2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.49
JAK3 P52333 13/20 0.49
SGK1 O00141 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
CHUK O15111 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
AXL P30530 1/20 0.36
GPR84 Q9NQS5 2/20 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
SCHEMBL20184489 0.97 JAK2 (0.51) JAK2JAK3SGK1CAMKK2PRKAB2
SCHEMBL20184527 0.90 JAK2 (0.49) JAK2JAK3SGK1CAMKK2CHUK
SCHEMBL20184337 0.90 JAK2 (0.43) JAK2JAK3CHUKKDM4EPRKAB2
SCHEMBL20184555 0.89 HSP90AB1 (0.43) JAK2JAK3SGK1CAMKK2CHUK
SCHEMBL20184700 0.89 JAK2 (0.40) JAK2JAK3PRKAB2PRKAG1PRKAA2
SCHEMBL20184398 0.89 JAK2 (0.51) JAK2JAK3CHUK
SCHEMBL20184548 0.88 JAK3 (0.53) JAK2JAK3SGK1CAMKK2CHUK
SCHEMBL20184672 0.88 JAK2 (0.54) JAK2JAK3SGK1CAMKK2
SCHEMBL20184551 0.88 JAK3 (0.53) JAK2JAK3
SCHEMBL20184581 0.87 JAK3 (0.43) JAK2JAK3

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