SCHEMBL6495791

SCHEMBL6495791

CC(C)c1cc(O)nc(-c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.42
MKNK2 Q9HBH9 9/20 0.42
PARP10 Q53GL7 1/20 0.39
MAP4K4 O95819 4/20 0.38
MYC P01106 1/20 0.38
ERN1 O75460 1/20 0.38
CHEK2 O96017 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IKBKB O14920 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
SCHEMBL7378255 0.84 MKNK1 (0.51) MKNK1MKNK2MAP4K4MYCERN1
SCHEMBL6506138 0.81 MEN1 (0.39) NPC1RAB9A
SCHEMBL13381599 0.80 MKNK1 (0.45) MKNK1MKNK2MAP4K4MYCERN1
SCHEMBL6497749 0.80 NPC1 (0.42) NPC1RAB9A
SCHEMBL19718861 0.79 MEN1 (0.44)
SCHEMBL14063572 0.74 MKNK1 (0.62) MKNK1MKNK2MAP4K4MYCERN1
SCHEMBL4808706 0.71 CNR1 (0.38)
SCHEMBL7375985 0.68 MKNK1 (0.53) MKNK1MKNK2MAP4K4CHEK2NPC1
SCHEMBL10026546 0.68 CA1 (0.59) MKNK1MKNK2PARP10MAP4K4ERN1
SCHEMBL7380578 0.68 MAP4K4 (0.48) MKNK1MKNK2MAP4K4MYCERN1

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
US-6844347-B1 Cyclic guanosine monophosphate modulators; cardiovascular diseases; guanylate cyclase activation AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-18 US disclosed
EP-1112266-B1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA GMBH (DE) 2003-05-14 EP disclosed
EP-1112266-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2001-07-04 EP disclosed
WO-2000009496-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-02-24 WO disclosed