SCHEMBL10209682

SCHEMBL10209682

C#CCN(c1ccc(C(=O)OC(C)(C)C)cc1)C1CCc2cc3nc(COC(C)(C)C)[nH]c(=O)c3cc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHFR P00374 2/20 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
SCHEMBL10209681 1.00 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL988728 0.94 MEN1 (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL988729 0.94 MEN1 (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL989396 0.93 TYMS (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL989399 0.93 TYMS (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL990715 0.92 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL3219438 0.92 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL990714 0.92 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL15180103 0.91 MEN1 (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL13255693 0.89

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809526-B2 Synthesis of cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8809526-B2 Synthesis of cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
WO-2012011939-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES ONYX PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed