SCHEMBL9830341

SCHEMBL9830341

COc1cc2nc(NCCCN3CCCC3=O)nc(N)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.63
TLR7 Q9NYK1 2/20 0.51
TLR9 Q9NR96 1/20 0.51
POLB P06746 1/20 0.48
EHMT2 Q96KQ7 5/20 0.48
EHMT1 Q9H9B1 5/20 0.48

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
SCHEMBL1291766 0.77 PGK1 (1.00) PGK1POLB
SCHEMBL3980055 0.76 PGK1 (0.62) PGK1TLR9POLB
SCHEMBL7262661 0.75 PGK1 (0.61) PGK1TLR9POLB
SCHEMBL8758459 0.75 NPY1R (0.56) POLBEHMT2EHMT1
SCHEMBL23260498 0.75 EHMT2 (0.62) POLBEHMT2EHMT1
SCHEMBL30526270 0.74 TP53 (0.56) POLB
SCHEMBL20280946 0.74 TP53 (0.56) POLB
SCHEMBL10837757 0.74 TP53 (0.56) POLB
SCHEMBL4356298 0.72 CDK1 (0.54) PGK1
SCHEMBL14564131 0.70 KDM1A (0.58) POLB

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
EP-0225866-B1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) 1991-09-25 EP disclosed
US-4795750-A HYPOTENSIVE AGENTS GEROT-PHARMAZEUTIKA GESELLSCHAFT (AT) 1989-01-03 US disclosed
EP-0225866-A2 Quinazoline derivatives, process for their preparation, pharmaceutical compositions containing them and their use Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) 1987-06-16 EP disclosed