SCHEMBL20184527

SCHEMBL20184527

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.49
JAK3 P52333 12/20 0.49
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
DHODH Q02127 2/20 0.36
HSP90AB1 P08238 1/20 0.35
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
PARP1 P09874 1/20 0.34
PLTP P55058 2/20 0.34

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 0.90 JAK2 (0.51) JAK2JAK3DHODHSGK1CAMKK2
SCHEMBL20184337 0.90 JAK2 (0.43) JAK2JAK3IKBKBCHUKHSP90AB1
SCHEMBL20184525 0.90 JAK2 (0.49) JAK2JAK3CHUKSGK1CAMKK2
SCHEMBL20184700 0.89 JAK2 (0.40) JAK2JAK3DHODHPLTP
SCHEMBL20184555 0.89 HSP90AB1 (0.43) JAK2JAK3CHUKDHODHHSP90AB1
SCHEMBL20184673 0.87 JAK2 (0.53) JAK2JAK3
SCHEMBL20184582 0.87 JAK2 (0.52) JAK2JAK3HSP90AB1SGK1CAMKK2
SCHEMBL20184538 0.87 JAK2 (0.39) JAK2JAK3HSP90AB1SGK1CAMKK2
SCHEMBL20184357 0.87 CHUK (0.47) JAK2JAK3CHUKCAMKK2
SCHEMBL20184548 0.86 JAK3 (0.53) JAK2JAK3IKBKBCHUKDHODH

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