SCHEMBL23905771

SCHEMBL23905771

CC1(C#N)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3ncc(C(F)F)cc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
ACACB O00763 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
RAF1 P04049 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
SCHEMBL23905917 0.89 GABRA5 (0.31)
SCHEMBL23904861 0.85 GABRA5 (0.31)
SCHEMBL23905262 0.85 GABRA5 (0.30)
SCHEMBL23905421 0.85 GABRA5 (0.30)
SCHEMBL23905266 0.84 GABRA5 (0.31)
SCHEMBL23905535 0.83
SCHEMBL23905522 0.83 CFTR (0.33) RAF1
SCHEMBL23905265 0.83 IP6K1 (0.31)
SCHEMBL23905822 0.83 GABRA5 (0.33)
SCHEMBL23905710 0.82 POLB (0.34)

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