SCHEMBL458691

SCHEMBL458691

CC(C)CNc1cc(Cl)nn2c(-c3ccc(C#N)c(F)c3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.44
TTK P33981 1/20 0.41
EGLN2 Q96KS0 6/20 0.40
CYP11B2 P19099 2/20 0.39
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
CYP11B1 P15538 1/20 0.38
FYN P06241 1/20 0.37

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
SCHEMBL455975 0.86 TTK (0.57) TTKEGLN2CYP11B2PIK3CDABL1
SCHEMBL470132 0.80 TTK (0.46) ERN1TTKFYN
SCHEMBL470209 0.79 TTK (0.56) ERN1TTKFYN
SCHEMBL10279180 0.75 TTK (0.56) ERN1TTKFYN
SCHEMBL10279181 0.74 TTK (0.59) ERN1TTKFYN
SCHEMBL463339 0.74 TTK (0.48) ERN1TTKFYN
SCHEMBL456540 0.74 TTK (0.47) ERN1TTK
SCHEMBL10279183 0.74 TTK (0.58) TTKFYN
SCHEMBL463338 0.73 TTK (0.53) ERN1TTKFYN
SCHEMBL104538 0.71 TTK (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed