SCHEMBL455975

SCHEMBL455975

CC(C)CNc1cc(-c2ccccc2)nn2c(-c3ccc(C#N)c(F)c3)cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.57
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
EGLN2 Q96KS0 8/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRM4 P08173 1/20 0.38
FYN P06241 3/20 0.38
FLT3 P36888 1/20 0.37
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL458691 0.86 ERN1 (0.44) TTKCYP11B1CYP11B2EGLN2FYN
SCHEMBL456539 0.76 TTK (0.57) TTKFYNPIK3CDABL1EGFR
SCHEMBL470209 0.73 TTK (0.56) TTKFYN
SCHEMBL10279497 0.73 TTK (1.00) TTK
SCHEMBL463165 0.72 TTK (0.98) TTK
SCHEMBL459155 0.71 TTK (0.56) TTKFYN
SCHEMBL469928 0.69 TTK (0.86) TTK
SCHEMBL10279705 0.68 TTK (0.75) TTK
SCHEMBL469981 0.68 TTK (0.81) TTK
SCHEMBL10279176 0.68 TTK (0.83) 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