SCHEMBL16296012

SCHEMBL16296012

CC(=O)Nc1ccc(-c2cn3nc(Nc4ccccc4C#N)nc3cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.69
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
JAK1 P23458 1/20 0.41
CSNK2A1 P68400 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL16307607 0.88 TTK (0.79) TTKEGLN2
SCHEMBL16296112 0.87 TTK (0.78) TTKJAK2
SCHEMBL1932228 0.87 TTK (0.82) TTKPIK3CAPIK3CG
SCHEMBL16295287 0.85 TTK (0.79) TTKJAK3
SCHEMBL15036897 0.84 TTK (0.79) TTK
SCHEMBL16295250 0.83 TTK (0.54) TTK
SCHEMBL16296295 0.83 TTK (0.53) TTK
SCHEMBL16296221 0.82 TTK (0.67) TTK
SCHEMBL1931869 0.81 TTK (1.00) TTKPIK3CAPIK3CG
SCHEMBL16295859 0.81 TTK (0.60) TTK

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-3008061-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed