SCHEMBL9970645

SCHEMBL9970645

CCNC[C@H]1OC(n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.74
PI4K2B Q8TCG2 2/20 0.74
PI4K2A Q9BTU6 2/20 0.74
PI4KB Q9UBF8 2/20 0.74
RXFP1 Q9HBX9 2/20 0.65
P2RX1 P51575 1/20 0.59
P2RX3 P56373 1/20 0.59
P2RX4 Q99571 1/20 0.59
AMD1 P17707 2/20 0.58
GAA P10253 1/20 0.52
ADORA3 P0DMS8 3/20 0.49
MAPK1 P28482 3/20 0.49
ADORA2B P29275 3/20 0.49
MEN1 O00255 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
KMT2A Q03164 2/20 0.49
EHMT1 Q9H9B1 1/20 0.49
DPP4 P27487 1/20 0.49
SLC28A1 O00337 1/20 0.49

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
SCHEMBL9940483 1.00 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940478 1.00 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14703570 0.92 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL803939 0.92 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395521 0.92 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14703568 0.92 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17108373 0.90 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17773142 0.90 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9104337 0.90 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13662860 0.90 PI4KA (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed