SCHEMBL9798488

SCHEMBL9798488

Cc1sccc1Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 15/20 0.60
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
TK1 P04183 2/20 0.51
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
BLM P54132 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
XDH P47989 1/20 0.49

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
SCHEMBL9799097 0.84 PNP (0.60) PNPHSP90AA1HSP90AB1TK1USP2
SCHEMBL9798287 0.81 PNP (0.57) PNPHSP90AA1HSP90AB1TK1USP2
SCHEMBL9434934 0.81 PNP (0.70) PNPHSP90AA1HSP90AB1TK1USP2
SCHEMBL10642013 0.80 PNP (0.64) PNPXDH
SCHEMBL9798103 0.79 PNP (0.66) PNPTK1USP2TSHREDNRA
SCHEMBL9799091 0.78 PNP (0.50) PNPXDH
SCHEMBL3303813 0.78 PNP (0.77) PNPHSP90AA1HSP90AB1TK1USP2
SCHEMBL1938289 0.78 PNP (0.73) PNPHSP90AA1HSP90AB1TK1XDH
Hydrochloric Acid SCHEMBL17186373 0.78 PNP (0.65) PNPTK1USP2TSHREDNRA
SCHEMBL17186382 0.77 PNP (0.58) PNPHSP90AA1HSP90AB1TK1USP2

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