SCHEMBL3469554

SCHEMBL3469554

CC(C)CNc1nccn2c(-c3ccc(OC(F)(F)F)cc3)cnc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.64
ATP1A1 P05023 1/20 0.47
ATP1B1 P05026 1/20 0.47
ATP1A3 P13637 1/20 0.47
ATP1B2 P14415 1/20 0.47
ATP1A2 P50993 1/20 0.47
ATP1B3 P54709 1/20 0.47
FXYD2 P54710 1/20 0.47
ATP1A4 Q13733 1/20 0.47

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
SCHEMBL3466904 0.87 TTK (0.69) TTK
SCHEMBL5403304 0.84 FLT3 (0.50) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3467927 0.82 TTK (0.74) TTK
SCHEMBL3469482 0.80 TTK (0.71) TTK
SCHEMBL3467195 0.79 TTK (0.61) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3469253 0.79 EED (0.46) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL9938190 0.78 TTK (0.82) TTK
SCHEMBL3467726 0.78 TTK (0.57) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12409246 0.77 TTK (0.47) TTK
SCHEMBL9966502 0.75 TTK (0.69) 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
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed