SCHEMBL12579635

SCHEMBL12579635

OC[C@@H]1CC[C@H](n2cnc3c(N[C@H](c4ccccc4)[C@@H](O)c4ccccc4)ncnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.49
▸ RIN1 Q13671 5/20 0.49
▸ NR2F2 P24468 3/20 0.48
▸ GALR3 O60755 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL13467415 0.85 NR2F2 (0.49) ABL1RIN1NR2F2GALR3
SCHEMBL13467655 0.80 NPC1 (0.66) ABL1RIN1NR2F2GALR3ADORA3
SCHEMBL14713387 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20626397 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL14713380 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20626477 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20626184 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20626476 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20626181 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20626301 0.80 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1ALDH1A1

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-2011069294-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF 中国医学科学院药物研究所 (CN) 2011-06-16 — — WO disclosed
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