SCHEMBL20184405

SCHEMBL20184405

CCc1nc(-c2ccccc2C)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
JAK2 O60674 7/20 0.41
JAK3 P52333 7/20 0.41
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
MYC P01106 1/20 0.37
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CAMKK2 Q96RR4 2/20 0.36
SGK1 O00141 1/20 0.36
MCL1 Q07820 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
NR4A2 P43354 1/20 0.35
MAPK14 Q16539 1/20 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
SCHEMBL20184403 0.87 DHODH (0.42) HSP90AB1JAK2JAK3RXRARXRB
SCHEMBL20184516 0.87 JAK3 (0.52) HSP90AB1JAK2JAK3
SCHEMBL20184389 0.87 JAK3 (0.40) HSP90AB1JAK2JAK3CAMKK2SGK1
SCHEMBL20184525 0.85 JAK2 (0.49) JAK2JAK3CAMKK2SGK1
SCHEMBL20184489 0.83 JAK2 (0.51) JAK2JAK3CAMKK2SGK1
SCHEMBL20184390 0.81 JAK3 (0.45) JAK3
SCHEMBL20184337 0.81 JAK2 (0.43) HSP90AB1JAK2JAK3
SCHEMBL20184325 0.79 JAK3 (0.59) HSP90AB1JAK2JAK3
SCHEMBL20184672 0.79 JAK2 (0.54) JAK2JAK3CAMKK2SGK1
SCHEMBL20184551 0.79 JAK3 (0.53) JAK2JAK3RXRARXRBRXRG

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