SCHEMBL23905717

SCHEMBL23905717

FCC1(CI)COc2c1cc(Cl)nc2-c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL23905585 0.93 ADORA2A (0.36) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23904878 0.90 ADORA2A (0.35) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23904778 0.88 ADORA2A (0.36) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23904761 0.88 ADORA2A (0.33) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23904879 0.84 ADORA2A (0.35) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23905627 0.82 ADORA3 (0.31) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23904770 0.81 ADORA3 (0.31) ADORA2AADORA2BADORA1ADORA3
SCHEMBL23904736 0.81
SCHEMBL23905808 0.78 ADORA1 (0.34) ADORA2AADORA2BADORA1
SCHEMBL23905810 0.78 ADORA2A (0.36) ADORA2AADORA2BADORA1ADORA3

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed