SCHEMBL3244032

SCHEMBL3244032

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
BRAF P15056 6/20 0.47
CTSC P53634 1/20 0.47
RAF1 P04049 1/20 0.47
TEK Q02763 1/20 0.46
EPHX2 P34913 1/20 0.46
FYN P06241 1/20 0.45
HTR2A P28223 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
SCHEMBL3247802 0.90 BRAF (0.58) KDRBRAFCTSCFYN
SCHEMBL3247795 0.87 BRAF (0.46) KDRBRAFCTSCFYN
SCHEMBL3247799 0.86 ABL1 (0.60) BRAFCTSC
SCHEMBL3242880 0.82 BRAF (0.54) KDRBRAFCTSCTEKFYN
SCHEMBL3245277 0.82 ABL1 (0.55) CTSC
SCHEMBL3245571 0.82 ABL1 (0.59) CTSC
SCHEMBL3244240 0.82 BRAF (0.69) BRAFTEKFYNHTR2A
SCHEMBL3235430 0.81 CTSC (0.46) BRAFCTSCFYN
SCHEMBL3249551 0.80 CTSC (0.45) KDRBRAFCTSCFYN
SCHEMBL3245525 0.80 AURKA (0.47) CTSC

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