SCHEMBL3247799

SCHEMBL3247799

CNC(=O)c1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.60
BCR P11274 2/20 0.60
SCN9A Q15858 9/20 0.50
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
CTSC P53634 1/20 0.47
BRAF P15056 1/20 0.46
EGFR P00533 1/20 0.45
ITK Q08881 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
SCHEMBL3245571 0.88 ABL1 (0.59) ABL1BCRCTSCEGFRITK
SCHEMBL3244032 0.86 KDR (0.48) CTSCBRAF
SCHEMBL3243019 0.85 LCK (0.55) ABL1BCRSCN9AJAK1TYK2
SCHEMBL3247802 0.84 BRAF (0.58) ABL1CTSCBRAFEGFRITK
SCHEMBL3235430 0.81 CTSC (0.46) ABL1CTSCBRAFEGFRITK
SCHEMBL3247795 0.81 BRAF (0.46) CTSCBRAFEGFR
SCHEMBL3242880 0.81 BRAF (0.54) ABL1BCRCTSCBRAFEGFR
SCHEMBL3249551 0.80 CTSC (0.45) ABL1BCRCTSCBRAFEGFR
SCHEMBL3245525 0.80 AURKA (0.47) ABL1BCRCTSCEGFRITK
SCHEMBL3245277 0.80 ABL1 (0.55) ABL1BCRCTSC

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