SCHEMBL9970622

SCHEMBL9970622

CC(C)(C)OC(=O)N(CCCN)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
RXFP1 Q9HBX9 1/20 0.56
P2RX1 P51575 2/20 0.54
P2RX3 P56373 2/20 0.54
P2RX4 Q99571 2/20 0.54
AMD1 P17707 2/20 0.49
PRMT1 Q99873 8/20 0.48
CARM1 Q86X55 3/20 0.48
DOT1L Q8TEK3 1/20 0.47
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44
RBBP5 Q15291 1/20 0.44
DPY30 Q9C005 1/20 0.44
ASH2L Q9UBL3 1/20 0.44

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
SCHEMBL15395441 1.00 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970148 0.95 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395684 0.92 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL25046558 0.89 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15389552 0.89 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395741 0.87 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970611 0.87 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954367 0.83 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970147 0.83 DOT1L (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395663 0.83 DOT1L (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-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed