SCHEMBL3245571

SCHEMBL3245571

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.59
BCR P11274 5/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
DYRK1A Q13627 1/20 0.52
SYK P43405 2/20 0.48
CTSC P53634 1/20 0.48
RIPK1 Q13546 1/20 0.46
IDH1 O75874 1/20 0.44
EGFR P00533 1/20 0.44
ITK Q08881 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
SCHEMBL3247799 0.88 ABL1 (0.60) ABL1BCRCTSCEGFRITK
SCHEMBL3247802 0.83 BRAF (0.58) ABL1KDM4EMAPTMAPK1DYRK1A
SCHEMBL3245525 0.83 AURKA (0.47) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3244032 0.82 KDR (0.48) CTSC
SCHEMBL3247964 0.81 CTSC (0.49) ABL1BCRSYKCTSCEGFR
SCHEMBL3235430 0.81 CTSC (0.46) ABL1SYKCTSCEGFRITK
SCHEMBL3247795 0.81 BRAF (0.46) CTSCEGFR
SCHEMBL3234950 0.80 CTSC (0.52) ABL1MAPTDYRK1ASYKCTSC
SCHEMBL3249551 0.80 CTSC (0.45) ABL1BCRSYKCTSCEGFR
SCHEMBL3242880 0.80 BRAF (0.54) ABL1BCRMAPTSYKCTSC

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 3 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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed