SCHEMBL20184334

SCHEMBL20184334

CCc1nc(-c2cccc(NC(=O)/C=C/c3c[nH]c4ccccc34)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.64
JAK2 O60674 4/20 0.46
AURKA O14965 4/20 0.46
IMPDH2 P12268 1/20 0.42
CDK7 P50613 2/20 0.40
CCNH P51946 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20184534 0.86 MAPT (0.49) JAK3JAK2IMPDH2KDM4EMEN1
SCHEMBL20184508 0.85 JAK3 (0.59) JAK3JAK2AURKA
SCHEMBL20184521 0.85 JAK3 (0.59) JAK3JAK2AURKA
SCHEMBL20184418 0.85 JAK3 (0.64) JAK3JAK2AURKA
SCHEMBL20184469 0.84 JAK3 (0.78) JAK3JAK2AURKA
SCHEMBL20184539 0.84 JAK3 (0.51) JAK3JAK2AURKA
SCHEMBL20184704 0.84 JAK3 (0.59) JAK3JAK2AURKA
SCHEMBL20184530 0.84 JAK3 (0.49) JAK3JAK2KDM4EMEN1ALDH1A1
SCHEMBL20184322 0.84 JAK3 (0.62) JAK3JAK2AURKAMEN1KMT2A
SCHEMBL16245266 0.83 JAK3 (0.62) JAK3JAK2

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