SCHEMBL7852022

SCHEMBL7852022

CC1(C)OC2C(CN3C(=O)c4ccccc4C3=O)OC(n3cnc4c(N)ncnc43)C2O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.67
PI4K2B Q8TCG2 2/20 0.67
PI4K2A Q9BTU6 2/20 0.67
PI4KB Q9UBF8 2/20 0.67
RXFP1 Q9HBX9 1/20 0.64
P2RX3 P56373 3/20 0.56
P2RX1 P51575 2/20 0.56
P2RX4 Q99571 2/20 0.56
AMD1 P17707 3/20 0.53
OR51E2 Q9H255 1/20 0.46
GAA P10253 1/20 0.45
ADORA1 P30542 3/20 0.45
DPP4 P27487 1/20 0.45
MEN1 O00255 1/20 0.45
SLC28A1 O00337 1/20 0.45
MAP3K7 O43318 1/20 0.45
SLC28A2 O43868 1/20 0.45
GAPDH P04406 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL16377173 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21422623 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16128948 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18125986 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL30238865 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23685601 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940423 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18314957 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13646721 0.89 GAA (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936235 0.86 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed