SCHEMBL456541

SCHEMBL456541

CC(C)(O)CNc1cc(C2=CCCCC2)nn2c(-c3ccc(C=O)cc3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.46
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
PIM1 P11309 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL456263 0.84 TTK (0.45) TTKFYNCSF1RCCNE1CDK2
SCHEMBL458258 0.83 TTK (0.51) TTKFYNPIM1
SCHEMBL10279704 0.83 TTK (0.46) TTKFYN
SCHEMBL469993 0.83 FYN (0.49) TTKFYNPIM1
SCHEMBL454907 0.82 TTK (0.56) TTK
SCHEMBL457727 0.75 TTK (0.44) TTKFYNPIM1EGLN2
SCHEMBL10279503 0.75 TTK (0.50) TTKFYNPIM1
SCHEMBL470024 0.72 TTK (0.43) TTKFYNPIM1
SCHEMBL456226 0.72 TTK (0.41) TTKFYNPIM1
SCHEMBL459155 0.69 TTK (0.56) TTKFYN

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 6 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-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