SCHEMBL9001785

SCHEMBL9001785

CC(C)(C)OC(=O)c1ccc(CCCn2ccc3nc(N)nc(O)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.44
ATIC P31939 3/20 0.40
SHMT1 P34896 3/20 0.40
SHMT2 P34897 3/20 0.40
GART P22102 2/20 0.38
EP300 Q09472 4/20 0.36
TLR8 Q9NR97 1/20 0.35
TBXAS1 P24557 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL8563771 0.91 TLR7 (0.45) TLR7ATICSHMT1SHMT2GART
SCHEMBL8570678 0.82 ATIC (0.38) TLR7ATICSHMT1SHMT2GART
SCHEMBL9446061 0.77 TLR8 (0.39) TLR7TLR8
SCHEMBL8563902 0.76 TLR7 (0.50) TLR7ATICSHMT1SHMT2GART
SCHEMBL7653891 0.73 CA12 (0.43) TLR7TLR8SIRT2SIRT1CA12
SCHEMBL9001870 0.73 ATIC (0.73) ATICSHMT1SHMT2GART
SCHEMBL8567733 0.73 CRHBP (0.41) EP300SIRT2SIRT1CA12CA1
SCHEMBL8562850 0.73 CYP4A11 (0.35) EP300SIRT2SIRT1CA12CA1
SCHEMBL8564673 0.73 ATIC (0.43) TLR7ATICSHMT1SHMT2GART
SCHEMBL8564668 0.72 ATIC (0.48) TLR7ATICSHMT1SHMT2GART

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
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed