SCHEMBL8801360

SCHEMBL8801360

Cc1c(C)n(-c2ccccc2)c2nc[nH]c(=O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
SRC P12931 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL4717730 0.83 MAPT (0.48) EGFRMAPTLMNAKMT2ASRC
SCHEMBL290869 0.79 HPGD (0.48) MAPTLMNAKMT2ASRCALDH1A1
SCHEMBL4718150 0.78 MAPT (0.43) EGFRMAPTLMNAKMT2ASRC
SCHEMBL20971097 0.77 ALDH1A1 (0.50) MAPTLMNAKMT2ASRCALDH1A1
SCHEMBL8801948 0.77 EGFR (0.47) EGFRKMT2AALDH1A1HPGDHTT
SCHEMBL5462039 0.75 MAPT (0.49) EGFRMAPTLMNAKMT2ASRC
SCHEMBL8800625 0.75 EGFR (0.55) EGFRMAPTLMNAKMT2AALDH1A1
SCHEMBL15797100 0.74 SRC (0.49) MAPTLMNAKMT2ASRCALDH1A1
SCHEMBL22086381 0.73 SRC (0.70) EGFRMAPTLMNAKMT2ASRC
Hydrochloric Acid SCHEMBL21272879 0.72 PI4KA (0.56) MAPTLMNAKMT2ASRCALDH1A1

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
EP-0482804-B1 Pyrrolo[2,3-d]pyrimidines with cardiovascular activity, process for their preparation and pharmaceutical compositions containing them ZENECA LTD (GB) 1997-01-22 EP disclosed
US-5328910-A Bradycardial agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-12 US disclosed
EP-0482804-A1 Pyrrolo[2,3-d]pyrimidines with cardiovascular activity, process for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-04-29 EP disclosed
EP-0005205-B1 SUBSTITUTED 5.6-DIMETHYLPYRROLO(2,3-D)PYRIMIDINES, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1981-09-09 EP disclosed
EP-0005205-A1 Substituted 5.6-dimethylpyrrolo(2,3-d)pyrimidines, methods for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1979-11-14 EP disclosed