SCHEMBL1937448

SCHEMBL1937448

C1=Cc2cccnc2CN1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL17394575 0.79
SCHEMBL5046225 0.73 GAA (0.43) PDE3BPDE3A
Quinoline SCHEMBL28196613 0.70 PARP1 (0.62) PARP1
SCHEMBL792475 0.68
SCHEMBL31152915 0.68 PARP1 (0.47) PARP1
SCHEMBL1266263 0.68 PARP1 (0.34) PARP1
SCHEMBL1938772 0.68 PARP1 (0.47) PARP1
Hydrochloric Acid SCHEMBL26625860 0.67
SCHEMBL442572 0.67 PARP1 (0.37) PARP1
SCHEMBL33931 0.66 PARP1 (0.95) PARP1CA12CA1CA2CA9

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
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
EP-2331561-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM Xenome Ltd (AU) 2011-06-15 EP disclosed
WO-2010025510-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2010-03-11 WO disclosed