SCHEMBL11274767

SCHEMBL11274767

Cc1nc2c([nH]c(=O)c3ccccc32)s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
PARP1 P09874 15/20 0.45
TNKS2 Q9H2K2 3/20 0.45
TNKS O95271 2/20 0.45
PARP15 Q460N3 1/20 0.45
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL11288925 0.95 MAPK1 (0.44) MAPK1PARP1TNKS2TNKSPARP15
SCHEMBL1561103 0.80 PARP1 (0.45) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL11647198 0.80 TLR8 (0.47) PARP1TNKS2TNKSPARP15TLR8
SCHEMBL11274910 0.79 PARP1 (0.49) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL11279989 0.79 PARP1 (0.44) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL11285870 0.78 PARP1 (0.45) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL1560390 0.76 PARP1 (0.41) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL7980353 0.76 PARP1 (0.54) PARP1TNKS2TNKSPARP15KDM4E
SCHEMBL11281218 0.75 TLR8 (0.51) PARP1TNKS2TNKSPARP15TLR8
Hydrochloric Acid SCHEMBL4320664 0.75 PARP1 (0.56) PARP1TNKS2TNKSPARP15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US claimed
EP-0005745-B1 PYRAZOLO (3,4-C) AND THIAZOLO (5,4-C) ISOQUINOLINES, METHODS FOR PREPARING THEM, THESE COMPOUNDS FOR USE AS ANTIINFLAMMATORY, CNS-DEPRESSANT AND ANTI-ANXIETY AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF GRUPPO LEPETIT S.P.A. (IT) 1982-07-14 EP disclosed
US-4232017-A CNS DEPRESSANTS; TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1980-11-04 US disclosed
EP-0005745-A1 Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1979-12-12 EP disclosed
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US disclosed