SCHEMBL1583556

SCHEMBL1583556

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CCN(C2CCCC2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
PROKR1 Q8TCW9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PTK6 Q13882 7/20 0.34
LCK P06239 3/20 0.34
AURKB Q96GD4 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.33
KHK P50053 1/20 0.33
PIK3CD O00329 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL1584743 0.98 P2RX7 (0.45) P2RX7PROKR1IRAK4PTK6LCK
SCHEMBL1583325 0.93 P2RX7 (0.40) P2RX7PROKR1PTK6LCKAURKB
SCHEMBL3071123 0.88 PIK3CD (0.36) PROKR1IRAK4PTK6LCKAURKB
SCHEMBL12720995 0.87 P2RX7 (0.44) P2RX7PROKR1IRAK4NPC1POLB
SCHEMBL1583709 0.86 P2RX7 (0.47) P2RX7IRAK4NPC1POLBRAB9A
SCHEMBL3064044 0.86 PROKR1 (0.34) PROKR1PTK6LCKAURKBPIK3CA
SCHEMBL13090305 0.85 PIK3CD (0.48) PROKR1PTK6LCKAURKBPIK3CD
SCHEMBL12720576 0.85 P2RX7 (0.50) P2RX7IRAK4NPC1POLBRAB9A
SCHEMBL1583246 0.85 P2RX7 (0.54) P2RX7PROKR1IRAK4NPC1POLB
SCHEMBL1583038 0.84 P2RX7 (0.49) P2RX7IRAK4NPC1POLBRAB9A

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
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO claimed
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed