SCHEMBL24915210

SCHEMBL24915210

Bc1c(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)cccc1N(CC#C)C(=O)c1ccc(C#N)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
PTGES O14684 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
POLQ O75417 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
SCHEMBL24914869 0.92 BRAF (0.32) BRAFSCN10APTGESKCNQ3KCNQ2
SCHEMBL24914865 0.83 P2RX7 (0.33) PTGESPOLQ
SCHEMBL24914857 0.82 BRAF (0.33) BRAFSCN10AKCNQ3KCNQ2
SCHEMBL23053028 0.82 FAAH (0.33) BRAFSCN10AKCNQ3KCNQ2
SCHEMBL24914654 0.81 RXFP1 (0.38) PTGESRXFP1POLQ
SCHEMBL20846765 0.81 BRAF (0.38) BRAFSCN10APTGESRXFP1KCNQ3
SCHEMBL24914487 0.80 POLQ (0.34) PTGESRXFP1POLQ
SCHEMBL25085597 0.80 AR (0.35) PTGESPOLQ
SCHEMBL24914860 0.79 RXFP1 (0.39) RXFP1
SCHEMBL23059628 0.79 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