SCHEMBL23905723

SCHEMBL23905723

C=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C#N)CF)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL23904776 0.85 ADORA1 (0.31) ADORA2AADORA1
SCHEMBL23905341 0.85
SCHEMBL23905463 0.83 CFTR (0.32)
SCHEMBL23905833 0.80 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL23905629 0.79
SCHEMBL23905725 0.79
SCHEMBL23905699 0.79 CFTR (0.32)
SCHEMBL23905719 0.78 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL23905720 0.78 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL23904854 0.76 GSR (0.32)

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