SCHEMBL3466904

SCHEMBL3466904

COc1ccc(-c2cnc3c(NCC(C)C)nccn23)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.69
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3469554 0.87 TTK (0.64) TTK
SCHEMBL3467927 0.86 TTK (0.74) TTK
SCHEMBL3467695 0.85 TTK (0.62) TTKKDM4ENPC1RAB9A
SCHEMBL3469482 0.84 TTK (0.71) TTK
SCHEMBL5408800 0.83 FLT3 (0.54) TTK
SCHEMBL3470414 0.82 TTK (0.58) TTK
SCHEMBL9938190 0.82 TTK (0.82) TTK
SCHEMBL12409255 0.80 TTK (0.52) TTK
SCHEMBL9966502 0.78 TTK (0.69) TTK
SCHEMBL8249613 0.78 TTK (0.60) 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