SCHEMBL9288448

SCHEMBL9288448

CCCCCNc1nc2nc(N)[nH]c(=O)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.60
PNP P00491 7/20 0.54
GPR84 Q9NQS5 1/20 0.47

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
SCHEMBL4384740 0.83 XDH (0.67) XDHPNPGPR84
SCHEMBL7809880 0.81 XDH (0.61) XDHGPR84
SCHEMBL9288451 0.80 XDH (0.47) XDHPNPGPR84
SCHEMBL8522269 0.77 PNP (0.56) PNPGPR84
SCHEMBL4128821 0.77 XDH (0.56) XDHGPR84
SCHEMBL7777164 0.75 PNP (0.54) PNPGPR84
SCHEMBL8536005 0.75 PNP (0.54) PNPGPR84
SCHEMBL6272296 0.75 PNP (0.54) PNPGPR84
SCHEMBL249649 0.75 XDH (1.00) XDH
SCHEMBL6272728 0.75 PNP (0.58) PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476659-A Killing; particularly lymphocytic leukemia THE SCRIPPS RESEARCH INSTITUTE (US) 1995-12-19 US disclosed
WO-1994011003-A1 CANCEROUS B CELL TREATMENT USING SUBSTITUTED NUCLEOSIDE DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 1994-05-26 WO disclosed
US-4746651-A ANTIBIOTIC AND ALDOGYCOSIDYL-GUANINE OR ISOXANTHOPTERIN IMMUNE RESPONSE-ENHANCING AGENT SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-05-24 US disclosed