SCHEMBL27395877

SCHEMBL27395877

N=C(N)Nc1ncc2[nH]c(NC(=N)N)nc2n1.[HH]

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7035231 0.84 CYP3A4 (0.33) CYP3A4
SCHEMBL9192389 0.72 SMN1; SMN2 (0.52) EGFRCYP3A4
SCHEMBL707871 0.66 CYP3A4 (0.71) CYP3A4
Hydrochloric Acid SCHEMBL7080808 0.65 CYP3A4 (0.69) CYP3A4
SCHEMBL11025980 0.64 MEN1 (0.43)
SCHEMBL3833609 0.64 F10 (0.47) CYP3A4
SCHEMBL5924458 0.64 TUBB4A (0.56) CYP3A4
SCHEMBL4517474 0.62 METAP2 (0.39) CYP3A4
SCHEMBL19207406 0.62 KDM4E (0.35)
SCHEMBL4264509 0.62 HTT (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1081034-C Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 2002-03-20 CN claimed
CN-1192903-A Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 1998-09-16 CN claimed
CN-109908350-A Application of the Na-ion channel blocker in preparation treatment melanoma drug 自然资源部第三海洋研究所 2019-06-21 CN disclosed
CN-101450056-B New use of sodium ion channel blocker in treating biology drug resistance of antibiotic JIANGSU HONGJINTIAN PHARMACEUTICAL CO LTD 2013-04-24 CN disclosed
CN-101513408-A Novel application of preparation of diguanidino-prine derivatives in improving drug effects of anti-cancer drugs PING XIONG (CN) 2009-08-26 CN disclosed
CN-101485663-A Novel use of sodium ion channel antagonist compound in improving quality of human sleeping SHENZHEN HONGJINTIAN BIOTECHNO (CN) 2009-07-22 CN disclosed
CN-101468013-A Novel use of biguanide-based purine ring derivates in improving medicament effect of analgesia medicament FANGLONG QIU (CN) 2009-07-01 CN disclosed
CN-101450056-A New use of sodium ion channel blocker in treating biology drug resistance of antibiotic SHENZHEN HONGJINTIAN BIOTECHNO (CN) 2009-06-10 CN disclosed
CN-101422463-A New use of sodium-ion channel blocker compound in clearing biosome endotoxin SHENZHEN HONGJINTIAN BIOTECHNO (CN) 2009-05-06 CN disclosed
CN-1081034-C Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 2002-03-20 CN disclosed
CN-1081034-C Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 2002-03-20 CN disclosed
CN-1081034-C Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 2002-03-20 CN disclosed
CN-1192903-A Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 1998-09-16 CN disclosed
CN-1192903-A Medicine of diguanidino-prine-hydride compounds for giving up drug-taking PAN XINFU (CN) 1998-09-16 CN disclosed