SCHEMBL9364441

SCHEMBL9364441

CCCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.60
NOS1 P29475 6/20 0.39
PNP P00491 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
USP2 O75604 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PAH P00439 1/20 0.33

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
SCHEMBL489058 0.89 HPRT1 (0.56) HPRT1NOS1PNPNOS3NOS2
SCHEMBL3743947 0.88 HPRT1 (0.56) HPRT1NOS1NOS3NOS2USP2
SCHEMBL21637016 0.83 HPRT1 (0.57) HPRT1NOS1PNPNOS3NOS2
SCHEMBL3793007 0.83 HPRT1 (0.58) HPRT1NOS1PNPNOS3NOS2
SCHEMBL3836268 0.83 HPRT1 (0.61) HPRT1NOS1PNPNOS3NOS2
SCHEMBL9068090 0.82 HPRT1 (0.58) HPRT1NOS1PNPNOS3NOS2
SCHEMBL9739844 0.82 HPRT1 (0.60) HPRT1NOS1PNPNOS3NOS2
SCHEMBL6748740 0.82 HPRT1 (0.57) HPRT1NOS1PNPNOS3NOS2
SCHEMBL571646 0.82 HPRT1 (0.60) HPRT1NOS1PNP
SCHEMBL5250159 0.82 HPRT1 (0.60) HPRT1NOS1PNP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464112-B1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS GEA FARMACEUTISK FABRIK AS (DK) 1994-10-05 EP disclosed
US-5223619-A Catalytic cyclization A/S GEA FARMACEUTISK FABRIK (DK) 1993-06-29 US disclosed
EP-0464112-A1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS. GEA FARMACEUTISK FABRIK AS (DK) 1992-01-08 EP disclosed
WO-1990011283-A1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS A/S GEA FARMACEUTISK FABRIK (DK) 1990-10-04 WO disclosed