SCHEMBL5492276

SCHEMBL5492276

Cc1ccc(Nc2ccccc2N)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
GAA P10253 6/20 0.65
TDP1 Q9NUW8 2/20 0.65
MAPK14 Q16539 10/20 0.61
MAPK13 O15264 7/20 0.61
MAPK12 P53778 7/20 0.61
MAPK11 Q15759 7/20 0.61
KDM4E B2RXH2 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
APP P05067 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
SNCA P37840 1/20 0.58
BLM P54132 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL1921406 0.86 MAPT (0.46) MAPTGAATDP1MAPK14MAPK13
SCHEMBL9994865 0.84 MAPT (0.59) MAPTGAATDP1MAPK14MAPK13
SCHEMBL22814361 0.82 MAPK13 (0.50) MAPTTDP1MAPK14MAPK13MAPK12
SCHEMBL28005209 0.80 MAPT (0.58) MAPTGAATDP1MAPK14MAPK13
SCHEMBL4607773 0.80 MAPT (0.86) MAPTGAATDP1MAPK14MAPK13
SCHEMBL2602405 0.79 MAPT (1.00) MAPTGAATDP1MAPK14MAPK13
SCHEMBL7166997 0.78 MAPT (0.75) MAPTGAATDP1MAPK14MAPK13
SCHEMBL6360440 0.78 KMT2A (0.48) MAPTGAAMAPK14MAPK13MAPK12
SCHEMBL4945848 0.78 MAPT (0.65) MAPTGAATDP1MAPK14MAPK13
SCHEMBL6355590 0.78 MAPK14 (0.47) MAPTGAAMAPK14MAPK13MAPK12

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-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed