SCHEMBL456371

SCHEMBL456371

COc1c(-c2cnc3c(NCCC(F)(F)F)cc(Cl)nn23)ccc(C(N)=O)c1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 15/20 0.46
ERN1 O75460 4/20 0.35
CSF1R P07333 1/20 0.34

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
SCHEMBL457970 0.88 TTK (0.44) TTKERN1
SCHEMBL469904 0.77 TTK (0.55) TTK
SCHEMBL462124 0.77 TTK (0.49) TTK
SCHEMBL463247 0.77 TTK (0.47) TTK
SCHEMBL15271384 0.77 TTK (0.69) TTK
SCHEMBL456417 0.77 TTK (0.57) TTK
SCHEMBL463164 0.77 TTK (0.50) TTK
SCHEMBL456965 0.76 ERN1 (0.40) TTKERN1
SCHEMBL457467 0.75 TTK (0.40) 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 disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed