SCHEMBL16120642

SCHEMBL16120642

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN1C(=O)c3ccccc3C1=O)O[C@H]2n1cc(Br)c2c(Cl)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 12/20 0.44
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.35
▸ P2RX1 P51575 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ RAPGEF3 O95398 1/20 0.32

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
SCHEMBL16120801 0.90 ADK (0.48) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL16120680 0.85 ADK (0.38) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL16120836 0.81 PI4KA (0.55) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL29772297 0.81 PI4KA (0.55) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL23685601 0.76 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18125986 0.76 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18314957 0.76 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21422623 0.76 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL7852022 0.76 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL30238865 0.76 PI4KA (0.67) 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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