SCHEMBL1769305

SCHEMBL1769305

Cc1nc(C(F)(F)F)c(C#N)c(-c2cc3c(NC(=O)c4ccccc4)nccc3o2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 3/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL1768941 0.91 ALDH1A1 (0.45) METALDH1A1KDM4EHPGDNPC1
SCHEMBL1769186 0.87 ALDH1A1 (0.40) METALDH1A1KDM4EHPGDNPC1
SCHEMBL1768881 0.84 ADORA1 (0.40) METALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1769127 0.83 ADORA2A (0.46) METALDH1A1KDM4EHPGDNPC1
SCHEMBL1769102 0.78 HTT (0.41) METALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14956583 0.70 MET (0.46) METALDH1A1
SCHEMBL14970083 0.70 MET (0.46) METALDH1A1
SCHEMBL12649850 0.68 MET (0.49) METALDH1A1KDM4EHPGDNPC1
SCHEMBL1769206 0.67 MET (0.49) METALDH1A1KDM4EHPGDNPC1
SCHEMBL12649894 0.66 MET (0.42) METALDH1A1KDM4EHPGDNPC1

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