SCHEMBL20184530

SCHEMBL20184530

CCc1nc(-c2cccc(NC(=O)/C=C/c3cccs3)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.49
JAK2 O60674 4/20 0.49
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
PSMD14 O00487 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL20184406 0.87 JAK3 (0.65) JAK3JAK2
SCHEMBL20184322 0.87 JAK3 (0.62) JAK3JAK2MEN1KMT2A
SCHEMBL20184521 0.86 JAK3 (0.59) JAK3JAK2
SCHEMBL20184508 0.86 JAK3 (0.59) JAK3JAK2
SCHEMBL20184539 0.85 JAK3 (0.51) JAK3JAK2
SCHEMBL20184704 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184418 0.84 JAK3 (0.64) JAK3JAK2
SCHEMBL20184526 0.84 JAK3 (0.51) JAK3JAK2
SCHEMBL20184334 0.84 JAK3 (0.64) JAK3JAK2MAPTMEN1KMT2A
SCHEMBL15010428 0.84 JAK3 (0.60) JAK3JAK2RAB9ANPC1SMN1; SMN2

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