SCHEMBL23958744

SCHEMBL23958744

CCc1cc(C(=O)NCC(c2nc(-c3ccc(F)cc3)c(F)c(C)c2F)C2CC2)cc(/C=C(/C)N)c1N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.32
NAMPT P43490 1/20 0.31
MAPT P10636 2/20 0.31
KLKB1 P03952 4/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
MAP4K4 O95819 1/20 0.30
PTGFR P43088 3/20 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
SCHEMBL23958792 0.81 CFTR (0.33) NAMPTMAPTKDM4ELMNA
SCHEMBL23958808 0.79
SCHEMBL23958703 0.74 CFTR (0.32) NAMPTMAPTKDM4ELMNA
SCHEMBL23958782 0.72 CFTR (0.35) MAPTKDM4ELMNA
SCHEMBL23958779 0.72 MAPT (0.33) MAPTKLKB1KDM4ELMNA
SCHEMBL23958753 0.71 CFTR (0.32)
SCHEMBL23958976 0.70 KDM4E (0.31) MAPTKDM4E
SCHEMBL23958775 0.70 ADRA1D (0.36) MAPTKDM4E
SCHEMBL23958802 0.69 CFTR (0.34) NAMPTMAPTKDM4E
SCHEMBL23958812 0.67 CFTR (0.38) SCN9AMAPTKDM4E

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed