SCHEMBL18896707

SCHEMBL18896707

CCC(=O)Nc1ccc(-c2ccc3nc(N)nn3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.46
PIK3CG P48736 7/20 0.46
PIK3CA P42336 6/20 0.46
PIK3CD O00329 6/20 0.46
PIK3CB P42338 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.42
GHSR Q92847 1/20 0.42

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
SCHEMBL18896717 0.86 PIK3CG (0.57) PIK3CGPIK3CAPIK3CDPIK3CBNPC1
SCHEMBL1932313 0.84 TTK (0.60) TTKPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL9997048 0.84 PIK3CG (0.47) TTKPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL1933562 0.83 TTK (0.62) TTKPIK3CGPIK3CDNPC1RAB9A
SCHEMBL13731733 0.82 PIK3CD (0.51) TTKPIK3CGPIK3CAPIK3CDNPC1
SCHEMBL12070691 0.82 TTK (0.61) TTKMEN1KMT2ASMN1; SMN2
SCHEMBL12506777 0.80 TTK (0.60) TTKPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL13731580 0.79 TTK (0.48) TTKPIK3CGPIK3CAPIK3CDMAPT
SCHEMBL13732913 0.78 TTK (0.47) TTKPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL15036967 0.77 TTK (0.52) TTKPIK3CGPIK3CAPIK3CDPIK3CB

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
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed