SCHEMBL9970656

SCHEMBL9970656

CC(C)Oc1ccc2[nH]c(CCCCN(C[C@H]3OC(n4cnc5c(N)ncnc54)[C@@H]4OC(C)(C)O[C@H]34)C(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
DOT1L Q8TEK3 11/20 0.44
AMD1 P17707 3/20 0.43
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX4 Q99571 1/20 0.42
DNMT1 P26358 1/20 0.41
METTL3 Q86U44 1/20 0.38
TRDMT1 O14717 1/20 0.38

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
SCHEMBL9940461 1.00 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940459 1.00 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970725 0.89 DOT1L (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940648 0.89 DOT1L (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940647 0.89 DOT1L (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395699 0.89 DOT1L (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17568787 0.89 DOT1L (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940474 0.89 DOT1L (0.56) DOT1LAMD1DNMT1METTL3TRDMT1
SCHEMBL9940654 0.81 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940792 0.81 DOT1L (0.67) DOT1LAMD1DNMT1METTL3TRDMT1

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