SCHEMBL3466285

SCHEMBL3466285

CN1CCN(c2ccc(-c3cnc4c(Nc5cccc(C(F)(F)F)c5)nccn34)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 8/20 0.55
BRAF P15056 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
EGFR P00533 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
FYN P06241 2/20 0.42
NPC1 O15118 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
MET P08581 1/20 0.41
TTK P33981 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
SCHEMBL12409291 0.85 PIM1 (0.46) CTSCBRAFMAPKAPK5EGFRFYN
SCHEMBL8246219 0.85 FYN (0.53) CTSCCYP1A2MAPKAPK5EGFRFYN
SCHEMBL14767492 0.84 PIM1 (0.45) CTSCBRAFMAPKAPK5EGFRFYN
SCHEMBL3466230 0.81 MAPT (0.47) CTSCBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3466296 0.79 POLB (0.48) BRAFEGFRFYNTTK
SCHEMBL3466900 0.78 CTSC (0.52) CTSCCYP1A2CYP3A4CYP2C9TTK
SCHEMBL3466253 0.78 MC4R (0.54) CTSCBRAFEGFRFYNTTK
SCHEMBL3466346 0.77 TTK (0.45) CTSCCYP1A2CYP3A4CYP2C9EGFR
SCHEMBL3466303 0.77 GAA (0.53) BRAFCYP1A2CYP3A4CYP2C9FYN
SCHEMBL3466340 0.77 CLK4 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2

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