SCHEMBL3671337

SCHEMBL3671337

Nc1nc2[nH]cnc2c(=O)n1CCCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.37
ADORA2A P29274 9/20 0.33
PDE4A P27815 9/20 0.33
PDE4B Q07343 9/20 0.33
PDE4C Q08493 9/20 0.33
PDE4D Q08499 9/20 0.33
ADORA2B P29275 8/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 3/20 0.32
PDE2A O00408 1/20 0.31
PDE5A O76074 1/20 0.31
CYP3A4 P08684 1/20 0.31
CFTR P13569 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA1 P30542 1/20 0.31
SCN1A P35498 1/20 0.31
PDE6C P51160 1/20 0.31

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
SCHEMBL667794 0.85 PDE4A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9960806 0.84 PNP (0.38) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL6272726 0.83 PDE4A (0.49) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL8196740 0.83 ADORA2B (0.37) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL874734 0.82 ADORA2A (0.45) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL8522266 0.82 ADORA2B (0.51) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL17186375 0.81 KDM5B (0.39) PNP
SCHEMBL8536000 0.81 ADORA2B (0.53) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL17186419 0.81 PIK3CA (0.35) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL6272293 0.81 ADORA2B (0.53) PNPADORA2APDE4APDE4BPDE4C

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-0910246-B1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS PENN STATE RES FOUND (US) 2010-08-18 EP disclosed
EP-0910246-A4 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS PENN STATE RES FOUND (US) 2003-07-02 EP disclosed
EP-0910246-A1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 1999-04-28 EP disclosed
WO-1997035477-A1 USE OF MUTANT ALKYLTRANSFERASES FOR GENE THERAPY TO PROTECT FROM TOXICITY OF THERAPEUTIC ALKYLATING AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 1997-10-02 WO disclosed