SCHEMBL29397182

SCHEMBL29397182

CSc1cc(Oc2ccnc(N)c2N)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.43
KDR P35968 3/20 0.37
FLT1 P17948 1/20 0.37
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
BACE1 P56817 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL3751510 1.00 BRAF (0.43) BRAFKDRFLT1PIK3CDABL1
SCHEMBL28686068 0.89 KDR (0.38) BRAFKDRFLT1PIK3CDABL1
SCHEMBL9909777 0.87 BRAF (0.41) BRAFKDRFLT1
SCHEMBL29396856 0.87 BRAF (0.41) BRAFKDRFLT1
SCHEMBL28690805 0.86 KDR (0.41) BRAFKDRFLT1PIK3CDABL1
SCHEMBL2931209 0.86 BRAF (0.44) BRAFKDREGFR
SCHEMBL29837321 0.85 KDR (0.49) BRAFKDRFLT1
SCHEMBL29837320 0.85 KDR (0.49) BRAFKDRFLT1
SCHEMBL28706557 0.85 ABL1 (0.47) BRAFKDRFLT1PIK3CDABL1
SCHEMBL28690910 0.85 KDR (0.42) BRAFKDRFLT1ABL1EGFR

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
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed