SCHEMBL28045116

SCHEMBL28045116

O=C(O)N1CCNC[C@@H]1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA9 Q16790 2/20 0.62
SLC6A4 P31645 7/20 0.60
SLC6A3 Q01959 7/20 0.60
SLC6A2 P23975 6/20 0.60
DPP4 P27487 5/20 0.57
DPP7 Q9UHL4 2/20 0.55
REN P00797 2/20 0.53
MITF O75030 1/20 0.46

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
SCHEMBL590923 1.00 CA1 (0.62) CA1CA2CA4CA9SLC6A4
SCHEMBL2086686 0.91 CA1 (0.54) CA1CA2CA4CA9SLC6A4
SCHEMBL3576211 0.91 CA1 (0.54) CA1CA2CA4CA9SLC6A4
SCHEMBL4584365 0.88 CA1 (0.63) CA1CA2CA4CA9SLC6A4
SCHEMBL8499274 0.88 CA1 (0.60) CA1CA2CA4CA9SLC6A4
SCHEMBL16673710 0.88 CA1 (0.52) CA1CA2CA4CA9SLC6A4
SCHEMBL873611 0.87 DPP4 (0.57) CA1CA2CA4CA9SLC6A4
SCHEMBL873610 0.87 DPP4 (0.57) CA1CA2CA4CA9SLC6A4
SCHEMBL2086293 0.87 GBA1 (0.50) CA1CA2CA4CA9SLC6A4
SCHEMBL2085039 0.87 GBA1 (0.50) CA1CA2CA4CA9SLC6A4

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-105102456-B Azaquinazoline inhibitors of atypical protein kinase C 癌症研究技术有限公司 2017-11-14 CN disclosed
CN-105102456-A Azaquinazoline inhibitors of atypical protein kinase C IGNYTA INC 2015-11-25 CN disclosed