SCHEMBL8495358

SCHEMBL8495358

CN(c1ccco1)c1ncnc2nc[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
CSF1R P07333 1/20 0.62
HSP90AA1 P07900 2/20 0.56
PDPK1 O15530 2/20 0.56
LRRK2 Q5S007 2/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
CHEK2 O96017 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PRKACA P17612 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
RPS6KA3 P51812 1/20 0.56
PRKCD Q05655 1/20 0.56
MARK2 Q7KZI7 1/20 0.56
HSD17B10 Q99714 3/20 0.48
HTT P42858 7/20 0.47
MAP3K5 Q99683 1/20 0.47
TSHR P16473 4/20 0.46

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
SCHEMBL4944612 0.86 HSP90AA1 (0.51) EGFRCSF1RHSP90AA1PDPK1LRRK2
SCHEMBL8495356 0.78 CSF1R (0.36) EGFRCSF1RHSP90AA1PDPK1LRRK2
Dimethyladenine SCHEMBL29349831 0.73 LRRK2 (1.00) EGFRCSF1RHSP90AA1PDPK1LRRK2
Dimethyladenine SCHEMBL152594 0.73 LRRK2 (1.00) EGFRCSF1RHSP90AA1PDPK1LRRK2
SCHEMBL28252229 0.72 EGFR (0.76) EGFRCSF1RHSP90AA1PDPK1LRRK2
SCHEMBL28004890 0.72 EGFR (0.66) EGFRCSF1RHSP90AA1PDPK1LRRK2
Dimethyladenine SCHEMBL11157548 0.72 PDPK1 (0.96) EGFRCSF1RHSP90AA1PDPK1LRRK2
SCHEMBL28004896 0.71 EGFR (0.74) EGFRCSF1RHSP90AA1PDPK1LRRK2
SCHEMBL6517686 0.71 LRRK2 (0.73) EGFRCSF1RHSP90AA1PDPK1LRRK2
SCHEMBL30602928 0.71 LRRK2 (0.73) EGFRCSF1RHSP90AA1PDPK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821690-B1 Nucleotide analogues for the treatment of viral infections USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-06-13 EP disclosed
US-5977061-A VIRICIDE AGAINST DNA VIRUSES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1999-11-02 US disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 WO disclosed