SCHEMBL1725258

SCHEMBL1725258

CC(O)Cc1ccc2c(c1)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 10/20 0.58
PARP10 Q53GL7 10/20 0.55
PARP1 P09874 2/20 0.45
PDPK1 O15530 1/20 0.45
GRM5 P41594 6/20 0.45

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
SCHEMBL20627544 0.88 PARP11 (0.61) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL10168733 0.80 PARP11 (0.66) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL25947316 0.80 PARP11 (0.66) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL8190887 0.77 PARP10 (0.58) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL19386434 0.77 PARP11 (0.61) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL14678288 0.75 PARP11 (0.56) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL279822 0.74 PARP10 (0.63) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL19454258 0.74 PARP11 (1.00) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL8269655 0.73 PARP11 (0.47) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL12194628 0.73 DAPK3 (0.46) PARP11PARP10GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed