SCHEMBL2319459

SCHEMBL2319459

CC(C)(C)OC(=O)c1ccc(N[C@H]2CCc3cc4nc(COCc5ccccc5)[nH]c(=O)c4cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNKS O95271 5/20 0.37
TNKS2 Q9H2K2 4/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PARP14 Q460N5 3/20 0.36
LIPG Q9Y5X9 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
LIPC P11150 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL2319454 1.00 PARP1 (0.38) PARP1TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL2320356 0.90 PARP1 (0.42) PARP1TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL2320352 0.90 PARP1 (0.42) PARP1TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL989215 0.89 MAPT (0.38) PARP1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL989212 0.89 MAPT (0.38) PARP1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL15958508 0.88 MAPT (0.37) PARP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL2318167 0.88 MAPT (0.37) PARP1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2318171 0.88 MAPT (0.37) PARP1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL988880 0.87 MAPT (0.37) PARP1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL988879 0.87 MAPT (0.37) PARP1SMN1; SMN2MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213664-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2014-04-30 EP disclosed
EP-1421069-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2011-08-10 EP disclosed
EP-2213664-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2010-08-04 EP disclosed
US-7250511-B2 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2007-07-31 US disclosed
EP-1421069-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2004-05-26 EP disclosed
WO-2003020706-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[g]QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2003-03-13 WO disclosed