SCHEMBL23905642

SCHEMBL23905642

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C2(F)CC2)cc(/C=C(/C)N)c1N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL23905797 0.86 PTGFR (0.32) POLBKMT2AMAPT
SCHEMBL23905782 0.85 POLB (0.32) POLBKMT2AMAPT
SCHEMBL23905949 0.85 PTGFR (0.31) POLBKMT2AMAPT
SCHEMBL23904706 0.84
SCHEMBL23905947 0.84
SCHEMBL23905980 0.83 ADRA1D (0.33) MAPT
SCHEMBL23905608 0.83 POLB (0.31) POLBKMT2AMAPT
SCHEMBL23904891 0.83 PTGS1 (0.33) POLBKMT2AMAPT
SCHEMBL23905637 0.82 P2RX7 (0.31) POLBKMT2A
SCHEMBL23905652 0.78 ADRA1D (0.34) MAPT

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