SCHEMBL459012

SCHEMBL459012

COc1ccc(Oc2nn3ccnc3c(NCC(C)(C)O)c2-c2ccc(C(=O)NC3CC3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.46
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPK14 Q16539 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
SCHEMBL17416415 0.86 TTK (0.46) TTKMAPK14
SCHEMBL457294 0.79 TTK (0.47) TTK
SCHEMBL456494 0.78 TTK (0.49) TTK
SCHEMBL16295889 0.78 TTK (0.64) TTK
SCHEMBL459013 0.76 TTK (0.48) TTKCNR1CNR2
SCHEMBL470208 0.76 TTK (0.66) TTK
SCHEMBL15555406 0.75 TTK (0.46) TTKCNR1CNR2
SCHEMBL456486 0.72 TTK (0.59) TTK
SCHEMBL455846 0.71 TTK (0.63) TTK
SCHEMBL458675 0.71 TTK (0.44) TTKCNR1CNR2

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 disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed