SCHEMBL252709

SCHEMBL252709

O=C(NCc1ccc(-c2cccnc2)cc1)c1cnc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAMBP O95630 5/20 0.55
PSMD14 O00487 4/20 0.55
COPS5 Q92905 4/20 0.52
TSHR P16473 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
MMP13 P45452 1/20 0.48
SCN2A Q99250 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
HPGDS O60760 1/20 0.46
AKT1 P31749 2/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
SMPD1 P17405 1/20 0.46
NAMPT P43490 2/20 0.46
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45

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
SCHEMBL619835 0.82 HTT (0.49)
SCHEMBL253871 0.81 HPGDS (0.60) STAMBPPSMD14COPS5HPGDSNAMPT
SCHEMBL246648 0.80 MMP13 (0.74) TSHRHDAC6MMP13AKT1NAMPT
SCHEMBL252287 0.79 STAMBP (0.51) STAMBPPSMD14COPS5NAMPT
SCHEMBL14082503 0.77 ROCK2 (0.74) HDAC6MMP13SCN2ASCN10AHPGDS
SCHEMBL14082493 0.77 MMP13 (0.79) TSHRHDAC6MMP13AKT1NAMPT
SCHEMBL253899 0.76 PSMD14 (0.46) STAMBPPSMD14COPS5TSHRHPGDS
SCHEMBL255348 0.76 NAMPT (0.52) STAMBPPSMD14COPS5NAMPTMAPK1
SCHEMBL14082585 0.76 ALDH1A1 (0.69) TSHRMMP13AKT1NAMPTROCK2
SCHEMBL253234 0.75 PSMD14 (0.50) STAMBPPSMD14COPS5TSHRMAPK1

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed