SCHEMBL8242276

SCHEMBL8242276

CCN(C=O)C(ONCCc1ccc(CCC(=O)NCCN(C(C)=O)c2ccc(N)cc2)cc1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ ADORA3 P0DMS8 3/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA2B P29275 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ HSP90B1 P14625 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TMIGD3 P0DMS9 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EZH2 Q15910 3/20 0.41
▸ PRKACA P17612 4/20 0.41
▸ AHCY P23526 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
SCHEMBL6154646 0.86 ADORA2A (0.50) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL8461385 0.83 AHCY (0.51) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19066616 0.73 AHCY (0.58) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL6698657 0.71 AHCY (0.55) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL536759 0.71 AHCY (0.52) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL8350372 0.70 PRKACA (0.39) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL724837 0.70 ADORA2A (0.58) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL5685760 0.70 AHCY (0.54) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL28901883 0.69 AHCY (0.61) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL177772 0.69 AHCY (0.61) TSHRADORA3ADORA2AADORA2BADORA1

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-6020321-A Adenosine receptor agonists for the promotion of wound healing NEW YORK UNIVERSITY (US) 2000-02-01 — — US disclosed
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