SCHEMBL6948647

SCHEMBL6948647

Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)CCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSIP1 O75475 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
POLR1A O95602 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
USP2 O75604 1/20 0.33
NOD2 Q9HC29 1/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC3 O15379 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
SCHEMBL6950988 0.86 GAA (0.40) GAAPOLBNPSR1NPC1KDM4E
SCHEMBL12440136 0.86 GAA (0.40) GAAPOLBNPSR1NPC1KDM4E
SCHEMBL9300884 0.84 POLB (0.47) GAAPOLBNPSR1NPC1POLR1A
SCHEMBL6583200 0.84 POLB (0.39) GAAPOLBNPSR1PSIP1NPC1
SCHEMBL6943265 0.82 POLB (0.37) GAAPOLBNPSR1KDM4EALDH1A1
SCHEMBL8485856 0.81 GAA (0.43) GAAPOLBNPSR1NPC1ATM
SCHEMBL8485814 0.81 GAA (0.43) GAAPOLBNPSR1NPC1KDM4E
SCHEMBL9299066 0.81 POLB (0.43) GAAPOLBNPSR1NPC1ATM
SCHEMBL9245910 0.80 POLB (0.45) GAAPOLBNPSR1NPC1KDM4E
SCHEMBL5734450 0.79 POLB (0.41) GAAPOLBNPSR1NPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
WO-1995009158-A1 TRICYCLIC DERIVATIVES ZENECA LIMITED (GB) 1995-04-06 WO disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 WO disclosed