SCHEMBL469957

SCHEMBL469957

Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Br)nn23)ccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.55

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
SCHEMBL469970 0.95 TTK (0.50) TTK
SCHEMBL17416352 0.90 TTK (0.59) TTK
SCHEMBL469904 0.89 TTK (0.55) TTK
SCHEMBL17416409 0.89 TTK (0.60) TTK
SCHEMBL470316 0.88 TTK (0.56) TTK
SCHEMBL470306 0.88 TTK (0.46) TTK
SCHEMBL456015 0.87 TTK (0.71) TTK
SCHEMBL17590113 0.86 TTK (0.47) TTK
SCHEMBL470336 0.85 TTK (0.42) TTK
SCHEMBL10279101 0.85 TTK (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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