SCHEMBL28211548

SCHEMBL28211548

FC(F)(F)c1ccc(-c2cccnn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
WNT3A P56704 3/20 0.42
TRPV3 Q8NET8 1/20 0.41
KCNH2 Q12809 3/20 0.40
PDE10A Q9Y233 1/20 0.40
MAP4K4 O95819 1/20 0.39
PIK3CA P42336 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
PI4KB Q9UBF8 1/20 0.39

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
SCHEMBL321744 0.81 PDE10A (0.40) WNT3AKCNH2PDE10AMAP4K4PIK3CA
SCHEMBL30527142 0.79 CYP2A6 (0.50) TRPV4
SCHEMBL17247906 0.79 CYP2A6 (0.50) TRPV4
SCHEMBL13750578 0.75 WNT3A (0.47) WNT3APDE10A
SCHEMBL28209158 0.75 KIF11 (0.50)
SCHEMBL1723870 0.74 MAP4K4 (0.44) WNT3AMAP4K4
SCHEMBL17619985 0.74 TRPV4 (0.47) TRPV4WNT3ATRPV3KCNH2MAP4K4
SCHEMBL30636554 0.74 CYP2A6 (0.56) TRPV4
SCHEMBL16835948 0.73 KCNH2 (0.46) TRPV4TRPV3KCNH2MAP4K4PIK3CA
SCHEMBL20427626 0.72 HPGDS (0.50) WNT3A

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
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed