SCHEMBL14156804

SCHEMBL14156804

CCC1OC(n2cnc3c(C)nc4nccn4c32)C(O)C1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ ADORA3 P0DMS8 4/20 0.39
▸ ADORA2A P29274 3/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ AMD1 P17707 1/20 0.39
▸ AHCY P23526 1/20 0.38
▸ EHMT1 Q9H9B1 1/20 0.38

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
SCHEMBL14156814 0.91 LMNA (0.48) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL25808148 0.81 SLC29A1 (0.51) ADORA3ADORA2AADORA2BADORA1
SCHEMBL25808149 0.79 HPGD (0.46) TAS1R3TAS1R1
SCHEMBL14156805 0.78 LMNA (0.57) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL14156811 0.78 SLC29A1 (0.48) ADORA3ADORA1LMNATP53CYP2C19
SCHEMBL25688810 0.75 SLC29A1 (0.45) LMNATP53
SCHEMBL22577618 0.72 SLC29A1 (0.61) ADORA3ADORA2AADORA2BADORA1TP53
SCHEMBL13777066 0.71 DPP4 (0.59) ADORA3ADORA2AADORA2BADORA1AMD1
SCHEMBL25496442 0.71 DPP4 (0.59) ADORA3ADORA2AADORA2BADORA1AMD1
SCHEMBL15962218 0.70 PAX8 (0.49) ADORA3ADORA2AADORA2BADORA1LMNA

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
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
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