SCHEMBL470191

SCHEMBL470191

NC(=O)c1ccc(-c2cnc3c(NCc4cccs4)cc(Cl)nn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.47
TTK P33981 1/20 0.45
POLB P06746 1/20 0.45
ERN1 O75460 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
SCHEMBL470190 0.89 TTK (0.48) FYNTTKPOLB
SCHEMBL470013 0.88 CYP1A2 (0.54) FYNTTKPOLB
SCHEMBL10279098 0.81 FYN (0.46) FYNPOLBERN1
SCHEMBL10279180 0.81 TTK (0.56) FYNTTKERN1
SCHEMBL10279097 0.79 TTK (0.51) TTKERN1
SCHEMBL10279096 0.78 FYN (0.41) FYNTTKERN1
SCHEMBL470001 0.78 KCNN1 (0.44) FYNPOLB
SCHEMBL2692922 0.75 CISD1 (0.54) POLB
SCHEMBL462792 0.73 ERN1 (0.43) FYNTTKERN1
SCHEMBL10279181 0.70 TTK (0.59) FYNTTKERN1

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
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed