SCHEMBL9799097

SCHEMBL9799097

Cc1ccsc1Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 0.60
TK1 P04183 2/20 0.51
BLM P54132 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
EDNRA P25101 1/20 0.50
HTR2A P28223 1/20 0.50
RECQL P46063 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
XDH P47989 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
VCP P55072 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9798488 0.84 PNP (0.60) PNPTK1BLMUSP2TSHR
SCHEMBL10385882 0.80 PNP (0.64) PNPXDH
SCHEMBL9434934 0.79 PNP (0.70) PNPTK1BLMUSP2TSHR
SCHEMBL9798103 0.79 PNP (0.66) PNPTK1BLMUSP2TSHR
SCHEMBL3303813 0.78 PNP (0.77) PNPTK1BLMUSP2TSHR
Hydrochloric Acid SCHEMBL17186373 0.78 PNP (0.65) PNPTK1BLMUSP2TSHR
Hydrochloric Acid SCHEMBL17186491 0.77 PNP (0.75) PNPTK1BLMUSP2TSHR
SCHEMBL1629910 0.76 PNP (0.70) PNPTK1BLMUSP2TSHR
SCHEMBL3305587 0.76 PNP (0.69) PNPTK1BLMUSP2TSHR
SCHEMBL874736 0.76 PNP (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP claimed
US-5051429-A For treatment of autoimmune diseases such as arthritis, lupus, antiinflammatory agents, multiple sclerosis, diabetes and viral diseases WARNER-LAMBERT CO. (US) 1991-09-24 US disclosed
US-4952693-A TREATING AUTOIMMUNE DISEASES WARNER-LAMBERT COMPANY (US) 1990-08-28 US disclosed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed