SCHEMBL3247970

SCHEMBL3247970

CC(=O)Nc1cccc(-c2cncc(Nc3cccc(OC(F)(F)F)c3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.61
FYN P06241 4/20 0.61
PIP4K2A P48426 3/20 0.55
PIP4K2B P78356 3/20 0.55
SYK P43405 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ABL1 P00519 3/20 0.46
OPRM1 P35372 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4183190 0.91 BRAF (0.71) BRAFFYNPIP4K2APIP4K2BABL1
SCHEMBL3244837 0.85 FYN (0.57) BRAFFYNSYK
SCHEMBL3247802 0.83 BRAF (0.58) BRAFFYNSYKABL1
SCHEMBL13170081 0.82 L3MBTL1 (0.64) FYNMTNR1AMTNR1B
SCHEMBL4195750 0.82 BRAF (0.65) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4191864 0.81 BRAF (0.70) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4194542 0.80 BRAF (0.62) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4198997 0.80 BRAF (0.72) BRAFFYNPIP4K2APIP4K2BMTNR1A
SCHEMBL4191746 0.79 BRAF (0.68) BRAFFYNPIP4K2APIP4K2B
SCHEMBL4194092 0.77 BRAF (0.65) BRAFFYNPIP4K2APIP4K2B

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