SCHEMBL28660995

SCHEMBL28660995

NC(=O)c1ccsc1NC(=O)Nc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.54
MAPT P10636 4/20 0.53
RAB9A P51151 3/20 0.53
MAPK8 P45983 9/20 0.49
MAPK10 P53779 5/20 0.49
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28676789 0.87 PTK2 (0.47) PTK2MAPK8MAPK10
SCHEMBL28667190 0.86 PTK2 (0.51) PTK2MAPK8MAPK10KMT2AMEN1
SCHEMBL28660998 0.84 PTK2 (0.49) PTK2MAPTRAB9AMAPK8MAPK10
SCHEMBL28930491 0.83 MAPK8 (0.50) PTK2MAPTRAB9AMAPK8MAPK10
SCHEMBL30556623 0.82 MAPK8 (0.49) PTK2MAPTRAB9AMAPK8MAPK10
SCHEMBL28665656 0.81 MAPK8 (0.58) PTK2MAPK8MAPK10
SCHEMBL29064716 0.80 MAPK8 (0.53) PTK2RAB9AMAPK8MAPK10NPC1
SCHEMBL29064712 0.80 MAPK8 (0.52) PTK2MAPTRAB9AMAPK8MAPK10
SCHEMBL28664704 0.80 MAPK8 (0.50) MAPTRAB9AMAPK8MAPK10ALDH1A1
SCHEMBL30556627 0.80 MAPK8 (0.50) MAPTRAB9AMAPK8MAPK10ALDH1A1

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
CN-113717148-A Heteroaromatic amide compound, preparation method and application thereof 上海医药工业研究院 2021-11-30 CN disclosed