SCHEMBL469967

SCHEMBL469967

Cc1cc(-c2cnc3c(NCC4CCOCC4)cc(NC4CCCC4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 1.00
CYP3A4 P08684 1/20 0.60

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
SCHEMBL17590072 0.90 TTK (0.83) TTK
SCHEMBL19336856 0.89 TTK (0.80) TTKCYP3A4
SCHEMBL17425421 0.88 TTK (0.78) TTKCYP3A4
SCHEMBL469976 0.88 TTK (0.84) TTK
SCHEMBL457386 0.86 TTK (0.81) TTK
SCHEMBL458278 0.85 TTK (0.82) TTK
SCHEMBL470188 0.85 TTK (0.74) TTK
SCHEMBL456217 0.82 TTK (0.69) TTKCYP3A4
SCHEMBL19336860 0.82 TTK (0.69) TTK
SCHEMBL12987754 0.81 TTK (0.68) TTKCYP3A4

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
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed