SCHEMBL3467002

SCHEMBL3467002

CNC(=O)c1cccc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
DDR1 Q08345 7/20 0.50
DDR2 Q16832 6/20 0.50
KIT P10721 4/20 0.50
ABL1 P00519 4/20 0.50
BCR P11274 4/20 0.50
BRAF P15056 3/20 0.49
TTK P33981 1/20 0.48
RAD52 P43351 3/20 0.45
PAX8 Q06710 2/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL3467932 0.91 DDR1 (0.47) LMNAPOLBDDR1DDR2KIT
SCHEMBL3465798 0.89 BRAF (0.51) LMNAPOLBDDR1DDR2KIT
SCHEMBL3466290 0.89 KIT (0.46) LMNAPOLBDDR1DDR2KIT
SCHEMBL3466032 0.88 RAD52 (0.49) DDR1DDR2KITABL1BCR
SCHEMBL3469410 0.87 RAD52 (0.62) BRAFRAD52PAX8
SCHEMBL3469213 0.85 FYN (0.55) LMNAPOLBDDR1DDR2KIT
SCHEMBL3466303 0.84 GAA (0.53) LMNAPOLBDDR1DDR2KIT
SCHEMBL3466278 0.82 FYN (0.47) LMNAPOLBDDR1DDR2KIT
SCHEMBL3466587 0.82 MAPT (0.52) LMNAPOLBDDR1DDR2KIT
SCHEMBL3467351 0.82 FYN (0.55) DDR1DDR2KITABL1BCR

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