SCHEMBL27677779

SCHEMBL27677779

CC(C)(C)OC(=O)C(C)(C(=O)O)n1ccc(N)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
EPHB4 P54760 1/20 0.33
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP4F2 P78329 1/20 0.31

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
SCHEMBL306662 0.73 HSP90AA1 (0.39) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL24884485 0.71 KMT2A (0.34) MAPTCYP4F2CYP4A11
SCHEMBL16428212 0.69 CYP4F2 (0.39) MAPTCYP4F2CYP4A11
SCHEMBL1862485 0.69 LMNA (0.36) MAPTPIK3CDABL1EGFRKDR
SCHEMBL27677778 0.68 ALDH1A1 (0.33)
SCHEMBL400899 0.67 ALDH1A1 (0.33) ABL1SRC
SCHEMBL20306392 0.67 CYP4F2 (0.43) MAPTCYP4F2CYP4A11
SCHEMBL21825918 0.67 MAP4K1 (0.33) CYP4F2CYP4A11
SCHEMBL1860579 0.67 ALDH1A1 (0.40) HSP90AA1HSP90AB1
SCHEMBL22290799 0.66 CYP4F2 (0.39) MAPTCYP4F2CYP4A11

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
CN-101023079-B Substituted hydantoins for the treatment of cancer HOFFMANN LA ROCHE 2010-05-05 CN disclosed
CN-101023079-A Substituted hydantoins for the treatment of cancer HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed