SCHEMBL9799129

SCHEMBL9799129

Nc1nc2c(nc(Br)n2Cc2csc3ccccc23)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.48
HPRT1 P00492 6/20 0.42
PDE7A Q13946 2/20 0.42
PDE7B Q9NP56 2/20 0.42
DHFR P00374 1/20 0.40
CMA1 P23946 1/20 0.40
CHRNA7 P36544 1/20 0.38
XDH P47989 1/20 0.37
CYP2A6 P11509 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9798309 0.89 PNP (0.62) PNPCMA1CHRNA7XDHCYP2A6
SCHEMBL10915197 0.81 PNP (0.54) PNPDHFRCMA1XDHCYP2A6
SCHEMBL9798175 0.80 PNP (0.63) PNPHPRT1XDH
SCHEMBL2128391 0.78 PNP (0.76) PNPHPRT1PDE7APDE7BDHFR
SCHEMBL9799091 0.77 PNP (0.50) PNPHPRT1PDE7APDE7BDHFR
SCHEMBL9798141 0.77 PNP (0.78) PNPHPRT1PDE7APDE7B
SCHEMBL10507664 0.76 PNP (0.51) PNPHPRT1PDE7APDE7BDHFR
SCHEMBL10506664 0.72 PNP (0.60) PNPHPRT1XDH
SCHEMBL10386634 0.72 PNP (0.78) PNPHPRT1PDE7APDE7BSMN1; SMN2
SCHEMBL10506494 0.71 PNP (0.58) PNPHPRT1DHFRXDH

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