SCHEMBL740053

SCHEMBL740053

CCC(CC)(NC(=O)c1cc2c(NC(=O)c3cccs3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 4/20 0.40
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 4/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 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
SCHEMBL743308 0.88 AURKA (0.48) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL739913 0.84 AURKA (0.42) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL1779010 0.82 RXFP1 (0.48) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4632698 0.81 SMN1; SMN2 (0.49) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL740471 0.81 AURKA (0.62) AURKAABL1
SCHEMBL741622 0.80 RAB9A (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL741526 0.80 RAB9A (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2418622 0.80 KDR (0.53) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL741356 0.80 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL742371 0.80 AURKA (0.50) MAPTALDH1A1KMT2AMEN1L3MBTL1

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
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US claimed
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US disclosed