SCHEMBL9913612

SCHEMBL9913612

CC1OC(CCC2CC(NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OC(C)(C)O[C@@H]43)C2)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.60
PI4K2B Q8TCG2 2/20 0.60
PI4K2A Q9BTU6 2/20 0.60
PI4KB Q9UBF8 2/20 0.60
RXFP1 Q9HBX9 1/20 0.55
AMD1 P17707 2/20 0.53
P2RX3 P56373 3/20 0.49
P2RX1 P51575 2/20 0.49
P2RX4 Q99571 2/20 0.49
EHMT1 Q9H9B1 4/20 0.41
EHMT2 Q96KQ7 2/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.40
SLC28A1 O00337 1/20 0.40
MAP3K7 O43318 1/20 0.40
SLC28A2 O43868 1/20 0.40
GAPDH P04406 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPK1 P28482 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
SCHEMBL9913688 0.89 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10284569 0.89 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10252398 0.89 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913596 0.85 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10249256 0.84 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9104284 0.83 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913582 0.83 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18127419 0.82 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9109513 0.82 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9109499 0.82 PI4KA (0.64) 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-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed