SCHEMBL1933359

SCHEMBL1933359

CC(=O)Nc1cccc(-c2ccc3nc(Nc4ccccn4)nn3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.67
PIK3CG P48736 15/20 0.61
PIK3CD O00329 10/20 0.61
PIK3CA P42336 7/20 0.61
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PIK3CB P42338 1/20 0.50
LRRK2 Q5S007 2/20 0.49
JAK2 O60674 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL3091846 0.85 PIK3CG (0.80) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2187962 0.84 PIK3CG (0.70) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12507255 0.82 TTK (0.75) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1933260 0.82 TTK (0.59) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1933136 0.81 TTK (0.69) TTKPIK3CGPIK3CDPIK3CAMAPT
SCHEMBL1934192 0.80 TTK (0.64) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1931869 0.80 TTK (1.00) TTKPIK3CGPIK3CDPIK3CALRRK2
SCHEMBL1933195 0.80 TTK (0.74) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL16306665 0.80 TTK (0.63) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1932155 0.80 PIK3CG (0.70) TTKPIK3CGPIK3CDPIK3CALRRK2

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-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP claimed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO claimed