SCHEMBL2666940

SCHEMBL2666940

c1ccc(C2=NNC(c3ccccc3OCc3ccccn3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.44
AURKB Q96GD4 4/20 0.43
INCENP Q9NQS7 4/20 0.43
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SLC6A4 P31645 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
HTR6 P50406 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL14454693 0.72 MAOA (0.39) MAOAMAOB
SCHEMBL29482274 0.72 MAOA (0.39) MAOAMAOB
SCHEMBL28039454 0.72 SYK (0.77) SYKAURKBINCENPABCB1HTR1A
SCHEMBL9072004 0.71 MAOA (0.51) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL2667043 0.70 CXCL12 (0.60) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL2666990 0.68 MAOA (0.50) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL6268223 0.67 MAOA (0.57) MAOAMAOB
SCHEMBL4342702 0.65 SYK (0.67) SYKAURKBINCENPABCB1HTR1A
SCHEMBL30853451 0.65 SYK (0.67) SYKAURKBINCENPABCB1HTR1A
Ammonia Solution, Strong SCHEMBL4267568 0.64 SYK (0.65) SYKAURKBINCENPABCB1HTR1A

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
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed