SCHEMBL456370

SCHEMBL456370

COc1cc(C(N)=O)ccc1C1(c2cnc3c(NCCC(F)(F)F)cc(Cl)nn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.41
LRRK2 Q5S007 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PI4KB Q9UBF8 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PI4KA P42356 1/20 0.33
MDM2 Q00987 3/20 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
SCHEMBL457969 0.80 TTK (0.45) TTK
SCHEMBL456417 0.73 TTK (0.57) TTK
SCHEMBL18208911 0.71 TTK (0.39) TTKKMT2API4KB
SCHEMBL469904 0.70 TTK (0.55) TTK
SCHEMBL456371 0.69 TTK (0.46) TTK
SCHEMBL18208715 0.68 TTK (0.36) TTK
SCHEMBL456964 0.68 TTK (0.36) TTK
SCHEMBL457466 0.67 TTK (0.41) TTK
SCHEMBL457970 0.66 TTK (0.44) TTK
SCHEMBL456366 0.66 ERN1 (0.34) 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