SCHEMBL4718150

SCHEMBL4718150

COC(=O)Oc1c(C)c2c(=O)[nH]cnc2n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
BCAT2 O15382 5/20 0.39
BLM P54132 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL27595455 0.88 MAPT (0.45) MAPTLMNAKMT2ASRCHPGD
SCHEMBL4721077 0.86 PARP1 (0.37) MAPTLMNAKMT2AHPGDALDH1A1
SCHEMBL4720475 0.83 BCAT2 (0.42) MAPTLMNAKMT2AHPGDALDH1A1
SCHEMBL290869 0.81 HPGD (0.48) MAPTLMNAKMT2ASRCHPGD
SCHEMBL4718179 0.78 NPC1 (0.41) MAPTLMNAKMT2AALDH1A1HSD17B10
SCHEMBL4717730 0.78 MAPT (0.48) MAPTLMNAKMT2ASRCHPGD
SCHEMBL8801360 0.78 EGFR (0.57) MAPTLMNAKMT2ASRCHPGD
SCHEMBL4718967 0.78 KDM4E (0.39) MAPTLMNAKMT2AHPGDALDH1A1
SCHEMBL4717818 0.77 ALDH1A1 (0.39) MAPTLMNAKMT2AHPGDALDH1A1
SCHEMBL27614310 0.76 PARP1 (0.38) MAPTLMNAKMT2ASRCHPGD

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