SCHEMBL20184534

SCHEMBL20184534

CCc1nc(-c2cccc(NC(=O)/C=C\c3ccccc3OC)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK3 P52333 10/20 0.49
JAK2 O60674 4/20 0.48
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
IMPDH2 P12268 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
SCHEMBL20184588 0.86 MMP2 (0.52) MAPTLMNAMEN1KMT2AJAK3
SCHEMBL20184334 0.86 JAK3 (0.64) MAPTLMNAMEN1KMT2AJAK3
SCHEMBL20184370 0.86 MMP1 (0.50) MAPTLMNAMEN1KMT2AJAK3
SCHEMBL20184572 0.85 JAK3 (0.61) MAPTLMNAMEN1KMT2AJAK3
SCHEMBL20184508 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184521 0.85 JAK3 (0.59) JAK3JAK2
SCHEMBL20184418 0.85 JAK3 (0.64) JAK3JAK2
SCHEMBL20184523 0.84 JAK3 (0.62) JAK3JAK2
SCHEMBL20184704 0.84 JAK3 (0.59) JAK3JAK2
SCHEMBL20184539 0.84 JAK3 (0.51) 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