SCHEMBL16120510

SCHEMBL16120510

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN)O[C@H]2n1cc(Br)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 9/20 0.65
▸ PI4KA P42356 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ METTL3 Q86U44 5/20 0.48
▸ RAPGEF3 O95398 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ DOT1L Q8TEK3 2/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ NNMT P40261 1/20 0.45

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
SCHEMBL18571721 0.91 PI4KA (0.66) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18297471 0.87 ADK (0.65) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18297604 0.83 ADK (0.62) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL16120801 0.82 ADK (0.48) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL24293844 0.82 ADK (0.52) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL29478311 0.82 ADK (0.52) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL16128942 0.79 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL20152361 0.79 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19711603 0.79 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940772 0.79 PI4KA (0.82) 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-2014152261-A1 SUBSTITUTED 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
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