SCHEMBL24344488

SCHEMBL24344488

COc1ncnc(N(C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
PAX8 Q06710 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GPR119 Q8TDV5 4/20 0.30
PDPK1 O15530 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL24344246 0.84 PAX8 (0.32) PAX8ALDH1A1PDPK1
SCHEMBL31276901 0.84 PAX8 (0.32) PAX8ALDH1A1PDPK1
SCHEMBL24344820 0.73 PAX8 (0.35) PAX8
SCHEMBL20839016 0.71 PAX8 (0.36) PAX8ALDH1A1GPR119
SCHEMBL22986455 0.69 JAK3 (0.39) PAX8JAK3PDPK1JAK1
SCHEMBL17362914 0.69 MKNK2 (0.41) MKNK2PDPK1JAK1
SCHEMBL8234275 0.69 PAX8 (0.38) HSD17B10PAX8ALDH1A1
SCHEMBL3592339 0.68 GRM5 (0.36) PAX8ALDH1A1PDPK1
SCHEMBL17362811 0.68 PDPK1 (0.40) MKNK2JAK3ALDH1A1PDPK1
SCHEMBL23482877 0.68 CYP1A2 (0.37) JAK3JAK1

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
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed