SCHEMBL8495356

SCHEMBL8495356

CN(c1ccco1)c1ncnc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.36
EGFR P00533 1/20 0.36
HSP90AA1 P07900 2/20 0.33
LRRK2 Q5S007 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
CHEK2 O96017 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PRKACA P17612 1/20 0.33

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
SCHEMBL8495358 0.78 EGFR (0.62) CSF1REGFRHSP90AA1LRRK2MEN1
SCHEMBL15950879 0.77 MAPT (0.51) MEN1TP53CYP1A2ALOX15TSHR
SCHEMBL8502760 0.77 CSF1R (0.60) CSF1REGFRLRRK2L3MBTL1
Dimethyladenine SCHEMBL152593 0.73 LRRK2 (0.52) CSF1REGFRHSP90AA1LRRK2CYP1A2
SCHEMBL9225650 0.73 L3MBTL1 (0.58) CSF1REGFRHSP90AA1LRRK2TSHR
SCHEMBL10645656 0.72 CSF1R (0.36) CSF1REGFRHSP90AA1LRRK2TSHR
Dimethyladenine SCHEMBL11157543 0.72 LRRK2 (0.50) CSF1REGFRHSP90AA1LRRK2CYP1A2
SCHEMBL6517684 0.72 LRRK2 (0.42) CSF1REGFRHSP90AA1LRRK2SMN1; SMN2
Dimethyladenine SCHEMBL28476806 0.72 LRRK2 (0.50) CSF1REGFRHSP90AA1LRRK2CYP1A2
SCHEMBL29100435 0.71 LRRK2 (0.41) CSF1REGFRHSP90AA1LRRK2SMN1; SMN2

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 6 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
US-4718936-A PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
EP-0154937-A2 6-(3-Thienylmethylamino)-purin, process for its preparation and its use BASF Aktiengesellschaft (DE) 1985-09-18 EP disclosed