SCHEMBL2354077

SCHEMBL2354077

COc1ccc(Cc2nc(N)oc2-c2cccc(Nc3cc(C)ccn3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.48
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK10 P53779 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PRMT5 O14744 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2226267 0.89 KARS1 (0.53) KARS1NPC1RAB9A
SCHEMBL2226095 0.74 KARS1 (0.46) KARS1ALDH1A1SMN1; SMN2MAPK10L3MBTL1
SCHEMBL16531388 0.74 KARS1 (0.46) KARS1ALDH1A1SMN1; SMN2MAPK10L3MBTL1
SCHEMBL2225653 0.72 KARS1 (0.53) KARS1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13136173 0.71 KARS1 (0.48) KARS1ALDH1A1SMN1; SMN2MAPK10L3MBTL1
SCHEMBL13136171 0.71 KARS1 (0.47) KARS1ALDH1A1SMN1; SMN2MAPK10L3MBTL1
SCHEMBL2227897 0.70 KARS1 (0.47) KARS1ALDH1A1SMN1; SMN2MAPK10L3MBTL1
SCHEMBL2225285 0.69 KARS1 (0.47) KARS1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2225286 0.69 KARS1 (0.47) KARS1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13136238 0.67 KARS1 (0.47) KARS1ALDH1A1SMN1; SMN2MAPK10L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523952-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB Science (FR) 2012-11-21 EP disclosed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 WO disclosed