SCHEMBL463364

SCHEMBL463364

CNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(N)=O)c(C)c3C3CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.40
CSF1R P07333 1/20 0.35
IDO1 P14902 2/20 0.33
CHRM4 P08173 1/20 0.33
MAPK8 P45983 2/20 0.33
MAPK10 P53779 2/20 0.33
BTK Q06187 2/20 0.32
TYK2 P29597 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
SCHEMBL462101 0.86 TTK (0.42) TTKMAPK8MAPK10TYK2
SCHEMBL17560054 0.81 TTK (0.46) TTKMAPK8MAPK10
SCHEMBL462359 0.78 TTK (0.42) TTKMAPK8MAPK10
SCHEMBL463363 0.77 TTK (0.66) TTK
SCHEMBL463164 0.76 TTK (0.50) TTK
SCHEMBL462242 0.75 USP2 (0.34) TTKCHRM4BTK
SCHEMBL12468487 0.75 TTK (0.38) TTKMAPK8MAPK10
SCHEMBL462654 0.75 PDE4A (0.36) TTKCHRM4BTKTYK2
SCHEMBL470029 0.74 TTK (0.60) TTK
SCHEMBL15554967 0.74 TTK (0.50) 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 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