SCHEMBL20184583

SCHEMBL20184583

CCc1nc(-c2cccc(NC(=O)C3=COCCO3)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
JAK3 P52333 9/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ADRB2 P07550 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
PSMD14 O00487 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL20184640 0.88 JAK3 (0.45) JAK3JAK2JAK1
SCHEMBL20184462 0.84 JAK3 (0.50) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL20184481 0.82 CYP3A4 (0.48) MAPTALDH1A1NPC1RAB9AJAK3
SCHEMBL20184397 0.80 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184578 0.80 JAK3 (0.41) JAK3KDM4EJAK2JAK1
SCHEMBL20184687 0.80 JAK3 (0.41) JAK3JAK2JAK1
SCHEMBL16245208 0.80 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL20184545 0.80 JAK3 (0.45) JAK3JAK2JAK1
SCHEMBL20184567 0.79 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL16245166 0.79 JAK3 (0.58) JAK3JAK2JAK1

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