SCHEMBL1769014

SCHEMBL1769014

CC(=O)C(C#N)Cc1cc2c(NC(=O)c3ccccc3)nccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ADORA3 P0DMS8 3/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA1 P30542 1/20 0.34
CTSV O60911 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6461074 0.80 MET (0.46) METHTTNPC1RAB9AADORA3
SCHEMBL12649894 0.73 MET (0.42) METHTTNPC1RAB9AADORA3
SCHEMBL1768972 0.73 MET (0.42) METHTTNPC1RAB9AADORA3
SCHEMBL1768883 0.71 MET (0.46) METHTTNPC1RAB9AADORA3
SCHEMBL1768941 0.71 ALDH1A1 (0.45) METHTTNPC1RAB9AADORA3
SCHEMBL1769206 0.70 MET (0.49) METHTTNPC1RAB9AADORA3
SCHEMBL12649850 0.69 MET (0.49) METHTTNPC1RAB9APOLB
SCHEMBL1769186 0.68 ALDH1A1 (0.40) METHTTNPC1RAB9AADORA3
SCHEMBL12649672 0.68 MET (0.46) METHTTNPC1RAB9AADORA3
SCHEMBL1768997 0.67 NPC1 (0.49) HTTNPC1RAB9AADORA3MEN1

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-2501700-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Bayer Intellectual Property GmbH (DE) 2012-09-26 EP disclosed
WO-2011061157-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed