SCHEMBL5229898

SCHEMBL5229898

COc1ccc(C(=O)Nc2nc3ccc(N)cc3c(NCc3ccccc3)c2C#N)cc1.COc1ccc(C(=O)Nc2nc3ccc(N4CCN(C=O)CC4)cc3c(NCc3ccccc3)c2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIT P10721 10/20 0.40
FLT3 P36888 7/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
KISS1R Q969F8 2/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL940590 0.96 MAPT (0.44) MAPTL3MBTL1KITFLT3KMT2A
SCHEMBL939996 0.89 KIT (0.51) MAPTL3MBTL1KITFLT3
SCHEMBL939862 0.89 ADORA2A (0.47) MAPTALDH1A1HPGDSMN1; SMN2ADORA3
SCHEMBL5964942 0.87 MAPT (0.56) MAPTL3MBTL1KITFLT3KMT2A
SCHEMBL939892 0.87 KIT (0.47) MAPTL3MBTL1KITFLT3KMT2A
SCHEMBL940762 0.87 FLT3 (0.48) MAPTL3MBTL1KITFLT3KMT2A
SCHEMBL941784 0.86 MAPT (0.43) MAPTL3MBTL1KITFLT3KMT2A
SCHEMBL1414488 0.81 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL940231 0.80 ADORA2A (0.45) MAPTALDH1A1HPGDSMN1; SMN2ADORA3
SCHEMBL2012739 0.79 ADORA2A (0.47) MAPTALDH1A1HPGDSMN1; SMN2ADORA3

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
EP-1663982-B1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI AVENTIS (FR) 2007-11-21 EP claimed