SCHEMBL470005

SCHEMBL470005

CC(C)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.56
MKNK1 Q9BUB5 2/20 0.46
FYN P06241 8/20 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
SCHEMBL470169 0.87 TTK (0.45) TTKMKNK1FYN
SCHEMBL456540 0.86 TTK (0.47) TTKMKNK1
SCHEMBL459155 0.81 TTK (0.56) TTKMKNK1FYN
SCHEMBL456264 0.79 TTK (0.51) TTKFYN
SCHEMBL456974 0.79 TTK (0.71) TTKMKNK1
SCHEMBL17590075 0.79 TTK (0.87) TTK
SCHEMBL458383 0.79 TTK (0.55) TTKMKNK1
SCHEMBL469994 0.78 FYN (0.47) TTKMKNK1FYN
SCHEMBL470122 0.74 TTK (0.93) TTK
SCHEMBL459286 0.74 TTK (0.39) 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