SCHEMBL24914869

SCHEMBL24914869

C#CCN(C(=O)c1ccc(C#N)nc1)c1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.32
PTGES O14684 3/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
POLQ O75417 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
MPL P40238 1/20 0.30
FAAH O00519 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
SCHEMBL24915210 0.92 BRAF (0.33) BRAFPTGESSCN10AKCNQ3KCNQ2
SCHEMBL24914865 0.91 P2RX7 (0.33) PTGESPOLQ
SCHEMBL24914857 0.90 BRAF (0.33) BRAFSCN10AKCNQ3KCNQ2FAAH
SCHEMBL24914654 0.89 RXFP1 (0.38) PTGESPOLQHDAC8
SCHEMBL23053028 0.89 FAAH (0.33) BRAFSCN10AKCNQ3KCNQ2HDAC8
SCHEMBL20846765 0.88 BRAF (0.38) BRAFPTGESSCN10AKCNQ3KCNQ2
SCHEMBL24914487 0.88 POLQ (0.34) PTGESPOLQHDAC8
SCHEMBL25085597 0.87 AR (0.35) PTGESPOLQ
SCHEMBL24914496 0.87 POLQ (0.38) PTGESPOLQHDAC8
SCHEMBL23059628 0.86 GPBAR1 (0.34) BRAFPTGESPOLQ

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-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed