SCHEMBL12468487

SCHEMBL12468487

CNC(=O)N(C)CCCNc1cc(Oc2cccc(F)c2)nn2c(-c3ccc(C(N)=O)c(C)c3C3CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.38
CYP3A4 P08684 1/20 0.33
SYK P43405 1/20 0.32
MAPK10 P53779 2/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL462359 0.86 TTK (0.42) TTKSYKMAPK10MAPK8
SCHEMBL12468486 0.81 TTK (0.58) TTKCYP3A4
SCHEMBL462242 0.80 USP2 (0.34) TTKCYP3A4SYK
SCHEMBL462654 0.79 PDE4A (0.36) TTKCYP3A4SYK
SCHEMBL462101 0.78 TTK (0.42) TTKMAPK10MAPK8
SCHEMBL463364 0.75 TTK (0.40) TTKMAPK10MAPK8
SCHEMBL10279265 0.74 TTK (0.61) TTKCYP3A4
SCHEMBL461869 0.74 TTK (0.55) TTKCYP3A4SYK
SCHEMBL15560602 0.73 TTK (0.54) TTK
SCHEMBL17416363 0.72 TTK (0.60) TTKCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed