SCHEMBL3667604

SCHEMBL3667604

COc1ccc(N)c(Nc2cnc3c(c2)COCC3C(NC(=O)O)C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.34
MTOR P42345 11/20 0.34
PIK3R1 P27986 1/20 0.31
PIK3CD O00329 4/20 0.31
PIK3CB P42338 4/20 0.31
PIK3CG P48736 4/20 0.31
MAP4K1 Q92918 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL3667534 0.88 TXNRD1 (0.33)
SCHEMBL3026909 0.80 PIK3CA (0.32) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3666200 0.75 KCNH2 (0.34) EGFR
SCHEMBL3008602 0.68 PLK1 (0.32)
SCHEMBL3669795 0.64 CSNK2A2 (0.32)
SCHEMBL3020455 0.64 TGFBR1 (0.31)
SCHEMBL3667380 0.63 MAPK8 (0.33) PIK3CAEGFR
SCHEMBL2267169 0.60 NPY5R (0.44) EGFR
SCHEMBL3025404 0.59 KDM4C (0.40)
SCHEMBL6811822 0.58 ALDH1A1 (0.45) EGFR

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-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed