SCHEMBL20096927

SCHEMBL20096927

Cc1nn(CCNCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.54
▸ DOT1L Q8TEK3 3/20 0.53
▸ AMD1 P17707 1/20 0.53
▸ ADORA1 P30542 3/20 0.52
▸ DPP4 P27487 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ SLC28A1 O00337 1/20 0.52
▸ MAP3K7 O43318 1/20 0.52
▸ SLC28A2 O43868 1/20 0.52
▸ GAPDH P04406 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ STAT6 P42226 1/20 0.52
▸ PI4KA P42356 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.52

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
SCHEMBL21311417 0.92 ATM (0.56) ATMDOT1LAMD1ADORA1DPP4
SCHEMBL20097001 0.85 DOT1L (0.61) DOT1LAMD1KMT2ANNMTAHCY
SCHEMBL21311155 0.81 DOT1L (0.60) ATMDOT1LADORA1DPP4MEN1
SCHEMBL20096930 0.81 DOT1L (0.60) ATMDOT1LADORA1DPP4MEN1
SCHEMBL20096943 0.79 DOT1L (0.66) ATMDOT1LAMD1ADORA1DPP4
SCHEMBL21311471 0.79 ADORA2A (0.33) ATMDOT1LSLC28A1ADORA3ADORA2A
SCHEMBL17568775 0.79 EHMT1 (0.70) DOT1LAMD1ADORA1DPP4MEN1
SCHEMBL15395392 0.79 EHMT1 (0.70) DOT1LAMD1ADORA1DPP4MEN1
SCHEMBL15984531 0.79 EHMT1 (0.70) DOT1LAMD1ADORA1DPP4MEN1
SCHEMBL20097062 0.79 EHMT1 (0.70) DOT1LAMD1ADORA1DPP4MEN1

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
Send feedback