SCHEMBL3247802

SCHEMBL3247802

CC(=O)Nc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.58
FYN P06241 3/20 0.55
SYK P43405 2/20 0.49
DYRK3 O43781 1/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
DYRK1A Q13627 1/20 0.48
CDK5R1 Q15078 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
CTSC P53634 1/20 0.48
ABL1 P00519 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 2/20 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
SCHEMBL3242880 0.93 BRAF (0.54) BRAFFYNSYKCTSCABL1
SCHEMBL3244240 0.92 BRAF (0.69) BRAFFYNABL1MAPTKDM4E
SCHEMBL3244032 0.90 KDR (0.48) BRAFFYNCTSCKDR
SCHEMBL3242121 0.89 BRAF (0.53) BRAFFYNSYKCTSCABL1
SCHEMBL3247795 0.89 BRAF (0.46) BRAFFYNCTSCKDRNPC1
SCHEMBL3244837 0.87 FYN (0.57) BRAFFYNSYKCTSCEGFR
SCHEMBL3249357 0.87 NPC1 (0.59) BRAFFYNABL1MEN1NPC1
SCHEMBL3246505 0.86 BRAF (0.53) BRAFFYNSYKKDRMEN1
SCHEMBL3242919 0.86 BRAF (0.47) BRAFFYNSYKCTSCABL1
SCHEMBL3235430 0.85 CTSC (0.46) BRAFFYNSYKCTSCABL1

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-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed