SCHEMBL6271701

SCHEMBL6271701

C=C(Cn1cnc2c(=O)[nH]c(N)nc21)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.65
XDH P47989 1/20 0.55
TK1 P04183 2/20 0.55
BLM P54132 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
EDNRA P25101 1/20 0.54
HTR2A P28223 1/20 0.54
RECQL P46063 1/20 0.54
HBB P68871 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL6267427 0.87 PNP (0.66) PNPXDHTK1BLMUSP2
SCHEMBL6265535 0.81 TK1 (0.61) PNPTK1BLMUSP2TSHR
SCHEMBL455494 0.81 PNP (0.64) PNPTK1BLMUSP2TSHR
SCHEMBL6266779 0.79 TK1 (0.58) PNPTK1BLMUSP2TSHR
SCHEMBL6271393 0.79 TK1 (0.58) PNPTK1BLMUSP2TSHR
SCHEMBL18249 0.79 PNP (1.00) PNPXDHTK1
SCHEMBL1980959 0.78 PNP (0.97) PNPXDHTK1
SCHEMBL6268532 0.78 PNP (0.79) PNPXDHTK1BLMUSP2
SCHEMBL24709731 0.77 PNP (0.66) PNPXDHTK1BLMUSP2
SCHEMBL6265339 0.77 TK1 (0.62) PNPTK1BLMUSP2TSHR

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 2 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