SCHEMBL3467932

SCHEMBL3467932

CNC(=O)c1cccc(-c2cnc3c(Nc4cncc(C(F)(F)F)c4)nccn23)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 12/20 0.47
DDR2 Q16832 8/20 0.47
KIT P10721 7/20 0.47
ABL1 P00519 6/20 0.47
BCR P11274 6/20 0.47
BRAF P15056 1/20 0.46
TTK P33981 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
FYN P06241 2/20 0.42
KDR P35968 1/20 0.41
SYK P43405 1/20 0.41
MC4R P32245 1/20 0.41

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
SCHEMBL3467002 0.91 LMNA (0.54) DDR1DDR2KITABL1BCR
SCHEMBL3465798 0.80 BRAF (0.51) DDR1DDR2KITABL1BCR
SCHEMBL3466290 0.80 KIT (0.46) DDR1DDR2KITABL1BCR
SCHEMBL3466032 0.80 RAD52 (0.49) DDR1DDR2KITABL1BCR
SCHEMBL3469410 0.79 RAD52 (0.62) BRAFFYN
SCHEMBL3469213 0.77 FYN (0.55) DDR1DDR2KITABL1BCR
SCHEMBL3466131 0.77 RAD52 (0.46) DDR1DDR2KITABL1BCR
SCHEMBL3466661 0.75 BRAF (0.52) DDR1DDR2KITABL1BCR
SCHEMBL3466303 0.75 GAA (0.53) DDR1DDR2KITABL1BCR
SCHEMBL3466278 0.74 FYN (0.47) 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