SCHEMBL6359272

SCHEMBL6359272

Nc1nc2nc(NCc3ccccc3)[nH]c(=O)c2[nH]1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.92
PI4KA P42356 2/20 0.60
PI4K2B Q8TCG2 2/20 0.60
PI4K2A Q9BTU6 2/20 0.60
PI4KB Q9UBF8 2/20 0.60
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PIM1 P11309 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL3670393 0.84 PNP (0.70) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6356976 0.84 PNP (0.70) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL3433598 0.83 PNP (0.68) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL10510946 0.82 PNP (0.64) PNP
SCHEMBL5798035 0.82 PNP (0.67) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6356584 0.81 PNP (0.65) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6357236 0.81 PNP (0.65) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL10505536 0.79 PNP (0.60) PNPFGFR1FGFR2PKM
SCHEMBL2776453 0.78 PNP (0.62) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL18251 0.78 PNP (0.62) PNPPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518854-A1 Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2005-03-30 EP disclosed
US-6436945-B2 FOR ENHANCING THE CHEMOTHERAPEUTIC TREATMENT OF TUMOR CELLS IN A MAMMAL WITH AN ANTINEOPLASTIC ALKYLATING AGENT, WHICH CAUSES CYTOTOXIC LESIONS AT THE O6-POSITION OF GUANINE; O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) INACTIVATOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF HEALTH AND HUMAN SERVICES 2002-08-20 US disclosed
US-6333331-B1 USEFUL IN INACTIVATING THE HUMAN DNA REPAIR PROTEIN O.SUP.6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE; ANTICANCER AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-12-25 US disclosed
EP-0775142-B1 SUBSTITUTED O6 -BENZYLGUANINES US HEALTH (US) 2001-10-24 EP disclosed
US-6303604-B1 USED AS ANTINEOPLASTIC ALKYLATING AGENT WHICH CAUSES CYTOTOXIC LESIONS AT THE O.SUP.6-POSITION OF QUANINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-16 US disclosed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP disclosed
US-6172070-B1 IN POLYOXYETHYLENE GLYCOL CARRIER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-01-09 US disclosed
EP-0374096-B1 COMBINATION THERAPY INVOLVING 2',3'-DIDEOXYPURINE NUCLEOSIDE AND AN INHIBITOR OF PURINE NUCLEOSIDE PHOSPHORYLASE, AND ITS COMPOSITIONS CIBA-GEIGY AG (CH) 1992-12-02 EP disclosed
EP-0374096-A1 Combination therapy involving 2',3'-dideoxypurine nucleoside and an inhibitor of purine nucleoside phosphorylase, and its compositions CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed