SCHEMBL3244240

SCHEMBL3244240

CC(=O)Nc1cccc(-c2ccc(Nc3ccc(OC(F)(F)F)cc3)nc2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.69
ABL1 P00519 5/20 0.56
FYN P06241 2/20 0.51
GSK3B P49841 1/20 0.51
TEK Q02763 1/20 0.50
BCR P11274 3/20 0.49
CHRNA7 P36544 1/20 0.49
HTR2A P28223 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CDK8 P49336 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL3247802 0.92 BRAF (0.58) BRAFABL1FYNKDM4EMAPT
SCHEMBL3242880 0.86 BRAF (0.54) BRAFABL1FYNTEKBCR
SCHEMBL3242870 0.84 BRAF (0.62) BRAFFYNKDM4EMAPTMAPK1
SCHEMBL3246505 0.84 BRAF (0.53) BRAFFYNKDM4EMAPTMAPK1
SCHEMBL3238228 0.83 NPC1 (0.59) BRAFFYNKDM4EMAPTMAPK1
SCHEMBL4183190 0.83 BRAF (0.71) BRAFABL1FYNCHRNA7HTR2A
SCHEMBL3249357 0.83 NPC1 (0.59) BRAFABL1FYNBCR
SCHEMBL3246389 0.82 CTSC (0.58) BRAFFYNTEKKDM4EMAPT
SCHEMBL1122219 0.82 BRAF (1.00) BRAFFYN
SCHEMBL3244032 0.82 KDR (0.48) BRAFFYNTEKHTR2A

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