SCHEMBL27764443

SCHEMBL27764443

C#CC1CC(CO)OC1n1cc(I)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 15/20 0.53
▸ HASPIN Q8TF76 1/20 0.49
▸ DOT1L Q8TEK3 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ STING1 Q86WV6 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PAX8 Q06710 1/20 0.41

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
SCHEMBL14134780 1.00 ADK (0.53) ADKHASPINDOT1LRAB9AMTOR
SCHEMBL27786173 0.88 ADK (0.48) ADKDOT1LRAB9APRMT5WDR77
SCHEMBL27764457 0.88 ADK (0.58) ADKDOT1LSLC29A1
SCHEMBL12154911 0.88 ADK (0.48) ADKDOT1LRAB9APRMT5WDR77
SCHEMBL27786170 0.88 ADK (0.63) ADKHASPINDOT1LRAB9APRMT5
SCHEMBL14134806 0.85 ADK (0.41) ADKDOT1LSLC29A1
SCHEMBL13068771 0.85 ADK (0.61) ADKHASPINDOT1LRAB9AMTOR
SCHEMBL20419264 0.85 ADK (0.61) ADKHASPINDOT1LRAB9AMTOR
SCHEMBL3768787 0.85 ADK (0.61) ADKHASPINDOT1LRAB9AMTOR
SCHEMBL29363011 0.84 ADK (0.55) ADKHASPINDOT1LRAB9AMTOR

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
CN-101600726-A The novel nucleoside analogs that is used for the treatment of virus infection NOVARTIS AG (CH) 2009-12-09 — — CN disclosed
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