SCHEMBL23905301

SCHEMBL23905301

O=C(NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(CF)CF)C(F)F)c1cc(OC2CC2)c2ncc(Cl)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.31
PIK3CA P42336 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
AR P10275 1/20 0.30
GABRA5 P31644 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
SCHEMBL23905685 0.90
SCHEMBL23904758 0.90 PIK3CA (0.32) IP6K1PIK3CAIRAK4
SCHEMBL23905733 0.90 PIK3CA (0.32) IP6K1PIK3CAIRAK4
SCHEMBL23905694 0.85 GABRA5 (0.31) GABRA5
SCHEMBL23905633 0.85 GABRA5 (0.31) GABRA5
SCHEMBL23905266 0.85 GABRA5 (0.31) GABRA5
SCHEMBL23905772 0.84 GABRA5 (0.30) IRAK4GABRA5
SCHEMBL23905489 0.84 GABRA5 (0.33) GABRA5
SCHEMBL23905973 0.84 IRAK4 (0.32) IP6K1IRAK4AR
SCHEMBL25116312 0.83 IP6K1 (0.31) IP6K1PIK3CAGABRA5

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