SCHEMBL4967475

SCHEMBL4967475

Nc1nc2[nH]cnc2c(=O)n1Cc1cncs1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.34
PNP P00491 3/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PARG Q86W56 3/20 0.32

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
SCHEMBL4962851 0.81 PNP (0.53) PNP
SCHEMBL4967495 0.81 PNP (0.38) MGMTPNP
SCHEMBL3300181 0.81 PNP (0.35) PNP
SCHEMBL5084754 0.80 MGMT (0.39) MGMTPNPJAK2JAK1JAK3
Hydrochloric Acid SCHEMBL17186370 0.80 PNP (0.52) PNP
SCHEMBL4963405 0.78 MGMT (0.35) MGMTPNPJAK2JAK1TYK2
SCHEMBL9434507 0.78 PNP (0.35) PNPJAK2JAK1JAK3PARG
SCHEMBL9960806 0.77 PNP (0.38) PNP
SCHEMBL4966454 0.76 PNP (0.45) PNP
SCHEMBL9231903 0.75 PNP (0.44) PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4054057-B2 2008-02-27 JP claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP claimed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO disclosed