SCHEMBL10279263

SCHEMBL10279263

Cc1cc(-c2cnc3c(NCC4CCS(=O)(=O)CC4)cc(Br)nn23)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.51
▸ ERN1 O75460 4/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ FYN P06241 1/20 0.42

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
SCHEMBL17425403 0.90 TTK (0.64) TTK
SCHEMBL469943 0.90 TTK (0.52) TTKERN1IKBKBFYN
SCHEMBL469974 0.89 TTK (0.64) TTKFYN
SCHEMBL470034 0.85 TTK (0.47) TTKERN1PIM1IKBKBFYN
SCHEMBL10279709 0.84 TTK (0.54) TTKERN1PIM1IKBKB
SCHEMBL10279711 0.84 TTK (0.60) TTKPIM1IKBKB
SCHEMBL470037 0.83 TTK (0.61) TTKPIM1
SCHEMBL470023 0.83 TTK (0.68) TTKPIM1FYN
SCHEMBL470045 0.82 TTK (0.46) TTKPIM1IKBKBFYN
SCHEMBL470035 0.82 TTK (0.55) TTKPIM1

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
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