SCHEMBL23270045

SCHEMBL23270045

Fc1cccc(CNc2nccn3c([C@@H]4CCCS4)cnc23)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.67
▸ ADORA2A P29274 1/20 0.53
▸ ADORA1 P30542 1/20 0.53

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
SCHEMBL23270015 0.89 ADORA3 (0.66) ADORA3
SCHEMBL23270046 0.89 ADORA3 (0.66) ADORA3
SCHEMBL23270031 0.89 ADORA3 (0.66) ADORA3
SCHEMBL19124625 0.88 ADORA3 (0.68) ADORA3
SCHEMBL19124664 0.88 ADORA3 (0.55) ADORA3
SCHEMBL19124619 0.86 ADORA3 (0.68) ADORA3
SCHEMBL19125109 0.86 ADORA3 (0.57) ADORA3ADORA2A
SCHEMBL19124298 0.86 ADORA3 (0.69) ADORA3
SCHEMBL19124123 0.85 ADORA3 (0.67) ADORA3
SCHEMBL19124329 0.83 ADORA3 (0.69) ADORA3

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
EP-3402798-B1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC (KR) 2021-04-28 — — EP disclosed
Send feedback