SCHEMBL20097005

SCHEMBL20097005

Nc1nccc2c1ncn2CNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.61
▸ DOT1L Q8TEK3 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ SLC28A1 O00337 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ SLC28A2 O43868 1/20 0.60
▸ GAPDH P04406 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ ADORA2A P29274 1/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ STAT6 P42226 1/20 0.60
▸ PI4KA P42356 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ PI4K2B Q8TCG2 1/20 0.60
▸ SLC29A1 Q99808 1/20 0.60
▸ PI4K2A Q9BTU6 1/20 0.60

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
SCHEMBL21311165 0.89 DOT1L (0.69) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL20097021 0.89 ATM (0.57) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL20097011 0.88 ATM (0.60) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL20097009 0.87 ATM (0.60) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL20097212 0.85 DOT1L (0.58) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL21311166 0.84 DOT1L (0.61) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL21311357 0.83 DOT1L (0.59) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL20096943 0.82 DOT1L (0.66) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL20097019 0.81 DOT1L (0.57) ATMDOT1LDPP4MEN1SLC28A1
SCHEMBL21311167 0.81 DOT1L (0.57) ATMDOT1LDPP4MEN1SLC28A1

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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