SCHEMBL10884525

SCHEMBL10884525

NCCC(=O)N(C(=O)OCc1ccccc1)[C@H]1[C@@H](O)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.52
▸ ADORA2A P29274 6/20 0.48
▸ ADORA2B P29275 6/20 0.48
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ DOT1L Q8TEK3 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL10885229 0.89 ADORA2A (0.52) AHCYADORA2AADORA2BADORA3ADORA1
SCHEMBL10887386 0.88 ADORA2A (0.52) AHCYADORA2AADORA2BADORA3ADORA1
SCHEMBL10885276 0.88 ADORA2A (0.52) AHCYADORA2AADORA2BADORA3ADORA1
SCHEMBL11054733 0.88 AHCY (0.68) AHCYADORA2AADORA3DOT1L
SCHEMBL10883897 0.85 ADORA2A (0.48) AHCYADORA2AADORA2BDOT1L
SCHEMBL10886574 0.84 ADORA2A (0.49) AHCYADORA2AADORA2B
SCHEMBL10885822 0.80 ADORA2A (0.46) AHCYADORA2AADORA2B
SCHEMBL10885962 0.78 ADORA2A (0.46) AHCYADORA2AADORA2BDOT1L
SCHEMBL10884518 0.78 DOT1L (0.50) AHCYADORA2AADORA2BDOT1L
SCHEMBL11195576 0.77 ADORA3 (0.60) AHCYADORA2AADORA2BADORA3ADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 — — EP disclosed
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