SCHEMBL5015574

SCHEMBL5015574

CC1CN(c2c(CO)cc(-c3nnc(C4COC(C)(C)O4)s3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL5015570 1.00 KDM4E (0.31) KDM4EHTTPIK3R1PIK3CAMTOR
SCHEMBL5015568 1.00 KDM4E (0.31) KDM4EHTTPIK3R1PIK3CAMTOR
SCHEMBL5012900 0.84 KDM4E (0.31) KDM4EHTT
SCHEMBL5012901 0.84 KDM4E (0.31) KDM4EHTT
SCHEMBL5012902 0.84 KDM4E (0.31) KDM4EHTT
SCHEMBL5012742 0.83 PIK3R1 (0.34) KDM4EHTTPIK3R1PIK3CAMTOR
SCHEMBL5012713 0.80 PIK3R1 (0.35) KDM4EHTTPIK3R1PIK3CAMTOR
SCHEMBL5133875 0.78 PIK3R1 (0.34) KDM4EHTTPIK3R1PIK3CAMTOR
SCHEMBL5012716 0.78 PIK3R1 (0.34) KDM4EHTTPIK3R1PIK3CAMTOR
SCHEMBL5015657 0.78 PIK3R1 (0.34) KDM4EHTTPIK3R1PIK3CAMTOR

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed