SCHEMBL4721077

SCHEMBL4721077

COC(=O)Oc1c(C)c2c(=O)[nH]cnc2n1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
HPGD P15428 2/20 0.37
BCAT2 O15382 3/20 0.36
MAPT P10636 6/20 0.36
BLM P54132 1/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 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
SCHEMBL4717818 0.91 ALDH1A1 (0.39) PARP1HPGDMAPTLMNAKMT2A
SCHEMBL27614310 0.90 PARP1 (0.38) PARP1HPGDBCAT2MAPTBLM
SCHEMBL4718150 0.86 MAPT (0.43) HPGDBCAT2MAPTBLMLMNA
SCHEMBL29831842 0.84 HPGD (0.42) PARP1HPGDBCAT2MAPTBLM
SCHEMBL290194 0.84 HPGD (0.42) PARP1HPGDBCAT2MAPTBLM
SCHEMBL4542766 0.80 NOTUM (0.41) PARP1HPGDBCAT2MAPTBLM
SCHEMBL4720475 0.80 BCAT2 (0.42) HPGDBCAT2MAPTBLMLMNA
SCHEMBL4719631 0.79 ALDH1A1 (0.36) PARP1HPGDMAPTLMNAKMT2A
SCHEMBL4718967 0.79 KDM4E (0.39) PARP1HPGDMAPTLMNAKMT2A
SCHEMBL291018 0.78 ALDH1A1 (0.44) HPGDMAPTLMNAKMT2AKDM4E

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-1458722-B1 PYRROLOPYRIMIDINES AS PHOSPHODIESTERASE VII INHIBITORS MERCK PATENT GMBH (DE) 2008-10-15 EP claimed
EP-1458722-B1 PYRROLOPYRIMIDINES AS PHOSPHODIESTERASE VII INHIBITORS MERCK PATENT GMBH (DE) 2008-10-15 EP disclosed