SCHEMBL3469963

SCHEMBL3469963

CN(C)CCNC(=O)c1cccc(-c2cnc3c(NCC4CC4)nccn23)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.60
RAD52 P43351 13/20 0.52
CAMK2D Q13557 2/20 0.51
IKBKB O14920 1/20 0.50
PAX8 Q06710 1/20 0.49
FYN P06241 1/20 0.49

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
SCHEMBL3477971 0.90 TTK (0.64) TTKFYN
SCHEMBL3469452 0.83 TTK (0.64) TTKFYN
SCHEMBL3469961 0.83 CAMK2D (0.54) RAD52CAMK2DPAX8FYN
SCHEMBL3469410 0.79 RAD52 (0.62) RAD52CAMK2DPAX8FYN
SCHEMBL3469144 0.78 TTK (0.61) TTKFYN
SCHEMBL3469619 0.78 TTK (0.59) TTKFYN
SCHEMBL2258603 0.78 FYN (0.75) CAMK2DIKBKBFYN
SCHEMBL11939385 0.77 TTK (0.51) TTKCAMK2DFYN
SCHEMBL15375701 0.76 TTK (1.00) TTK
SCHEMBL3469392 0.76 FYN (0.56) TTKPAX8FYN

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