SCHEMBL9913596

SCHEMBL9913596

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.59
PI4K2B Q8TCG2 2/20 0.59
PI4K2A Q9BTU6 2/20 0.59
PI4KB Q9UBF8 2/20 0.59
RXFP1 Q9HBX9 1/20 0.55
AMD1 P17707 3/20 0.52
P2RX3 P56373 3/20 0.49
P2RX1 P51575 2/20 0.49
P2RX4 Q99571 2/20 0.49
DOT1L Q8TEK3 2/20 0.43
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
GAA P10253 1/20 0.41
EZH2 Q15910 1/20 0.41
OR51E2 Q9H255 1/20 0.40
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

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
SCHEMBL9913582 0.90 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9913634 0.90 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10248794 0.89 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16976157 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9108617 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10249138 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9108597 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9110954 0.88 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9108504 0.87 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17591118 0.87 PI4KA (0.60) 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