SCHEMBL6994944

SCHEMBL6994944

Nc1nc(-c2ccccn2)c(-c2ccnc(Nc3ccccc3)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.51
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
NFKB1 P19838 1/20 0.45
PPP1CA P62136 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
USP2 O75604 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL6987967 0.91 MAPK10 (0.52) TGFBR1MEN1KMT2AMAPK14NPC1
SCHEMBL6998890 0.89 TGFBR1 (0.55) TGFBR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4036011 0.87 TGFBR1 (0.63) TGFBR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7001195 0.84 KDR (0.46) TGFBR1MEN1KMT2AMAPK14GAA
SCHEMBL6994559 0.82 TGFBR1 (0.44) TGFBR1MEN1KMT2AMAPK14NPC1
SCHEMBL4035730 0.80 TGFBR1 (0.52) TGFBR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5956505 0.79 TGFBR1 (0.55) TGFBR1MAPTMEN1KMT2AMAPK14
SCHEMBL18236266 0.77 TGFBR1 (0.60) TGFBR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL413765 0.76 TGFBR1 (0.52) TGFBR1MAPTMEN1KMT2AMAPK14
SCHEMBL415611 0.76 TGFBR1 (0.52) TGFBR1MAPTMAPK14ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366047-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP claimed
WO-2002062793-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO claimed
EP-1366047-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002062793-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed