SCHEMBL3242880

SCHEMBL3242880

CC(=O)Nc1ccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.54
TEK Q02763 1/20 0.51
FYN P06241 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CTSC P53634 2/20 0.49
SYK P43405 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDK8 P49336 1/20 0.46
CHRNA7 P36544 1/20 0.45
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
KDR P35968 1/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44

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 0.93 BRAF (0.58) BRAFFYNCTSCSYKNPC1
SCHEMBL3242121 0.88 BRAF (0.53) BRAFFYNCTSCSYKNPC1
SCHEMBL3242919 0.87 BRAF (0.47) BRAFFYNCTSCSYKEGFR
SCHEMBL3244240 0.86 BRAF (0.69) BRAFTEKFYNCDK8CHRNA7
SCHEMBL3246808 0.84 CTSC (0.64) BRAFTEKCTSCSYKCDK8
SCHEMBL3244032 0.82 KDR (0.48) BRAFTEKFYNCTSCKDR
SCHEMBL3246352 0.82 CTSC (0.53) CTSCSYKMAPTKMT2A
SCHEMBL3247795 0.82 BRAF (0.46) BRAFFYNMTNR1AMTNR1BCTSC
SCHEMBL3235430 0.82 CTSC (0.46) BRAFFYNCTSCSYKEGFR
SCHEMBL3249551 0.81 CTSC (0.45) BRAFFYNCTSCSYKEGFR

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