SCHEMBL13728786

SCHEMBL13728786

NC(=O)c1ccnc(Cc2cccc(-c3cccnc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ MKNK1 Q9BUB5 11/20 0.45
▸ MKNK2 Q9HBH9 11/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ BACE1 P56817 2/20 0.43
▸ KMO O15229 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ PSMB5 P28074 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PSIP1 O75475 1/20 0.40
▸ AXL P30530 1/20 0.40

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
SCHEMBL13728281 0.88 PRKCI (0.48) PRMT6MKNK2GRM2PIM1
SCHEMBL13728047 0.86 GRM2 (0.47) GRM2MEN1
SCHEMBL13728270 0.81 PRMT6 (0.45) PRMT6BACE1
SCHEMBL13726397 0.80 KCNA5 (0.43) MKNK1MKNK2GRM2
SCHEMBL13728854 0.79 NR3C2 (0.51) —
SCHEMBL30761107 0.76 MKNK1 (0.59) MKNK1MKNK2KMOMEN1PSIP1
SCHEMBL933914 0.76 MKNK1 (0.59) MKNK1MKNK2KMOMEN1PSIP1
SCHEMBL5252905 0.76 NR3C2 (0.54) —
SCHEMBL13728612 0.76 NR3C2 (0.54) —
SCHEMBL13729600 0.75 P2RX3 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 — — WO disclosed
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