SCHEMBL6267427

SCHEMBL6267427

Nc1nc2c(ncn2CC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 10/20 0.66
EGFR P00533 1/20 0.59
XDH P47989 1/20 0.56
TK1 P04183 2/20 0.56
BLM P54132 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
VCP P55072 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
EDNRA P25101 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
HBB P68871 1/20 0.55

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
SCHEMBL6271701 0.87 PNP (0.65) PNPXDHTK1BLMMEN1
SCHEMBL455494 0.84 PNP (0.64) PNPTK1BLMMEN1ALDH1A1
SCHEMBL9464057 0.82 BLM (0.68) PNPXDHTK1BLMMEN1
SCHEMBL8842488 0.82 PNP (0.66) PNPTK1BLMMEN1ALDH1A1
SCHEMBL6268532 0.81 PNP (0.79) PNPXDHTK1BLMUSP2
SCHEMBL6265339 0.81 TK1 (0.62) PNPTK1BLMMEN1ALDH1A1
SCHEMBL24709731 0.81 PNP (0.66) PNPXDHTK1BLMMEN1
SCHEMBL8660736 0.80 PNP (0.67) PNPBLMMEN1ALDH1A1LMNA
SCHEMBL18249 0.80 PNP (1.00) PNPXDHTK1
SCHEMBL17186255 0.79 PNP (0.75) PNPXDHTK1BLMUSP2

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
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 EP disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 WO disclosed