SCHEMBL9970637

SCHEMBL9970637

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67
PI4K2A Q9BTU6 1/20 0.67
PI4KB Q9UBF8 1/20 0.67
RXFP1 Q9HBX9 1/20 0.59
AMD1 P17707 4/20 0.54
P2RX1 P51575 1/20 0.54
P2RX3 P56373 1/20 0.54
P2RX4 Q99571 1/20 0.54
EZH2 Q15910 1/20 0.51
PRMT1 Q99873 6/20 0.49
CARM1 Q86X55 3/20 0.49
DOT1L Q8TEK3 2/20 0.48
PRMT7 Q9NVM4 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47

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
SCHEMBL15395675 1.00 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954367 0.97 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
Water SCHEMBL10663829 0.96 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17153318 0.94 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970159 0.94 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395668 0.93 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395676 0.92 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395646 0.91 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954215 0.89 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970711 0.89 PI4KA (0.75) 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