SCHEMBL24879913

SCHEMBL24879913

CNSc1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn3c(n2)C(=O)NCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.35
▸ XPO1 O14980 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ TRPV1 Q8NER1 4/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ TEAD1 P28347 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL30114217 0.85 TEAD1 (0.49) MAP4K1JAK2TRPV1MAP3K12TEAD1
SCHEMBL24879922 0.85 TEAD1 (0.49) MAP4K1JAK2TRPV1MAP3K12TEAD1
SCHEMBL24880103 0.81 FGFR4 (0.35) TRPV1MAP3K12KCNH2TEAD1
SCHEMBL24879888 0.80 KCNH2 (0.36) TRPV1MAP3K12KCNH2TEAD1HCRTR1
SCHEMBL24880208 0.80 TRPV1 (0.33) XPO1TRPV1MAP3K12KCNH2TEAD1
SCHEMBL24879891 0.80 KCNH2 (0.36) TRPV1MAP3K12KCNH2TEAD1HCRTR1
SCHEMBL24880379 0.78 TEAD1 (0.35) JAK2TRPV1MAP3K12KCNH2GRM2
SCHEMBL24879779 0.77 TEAD1 (0.35) TRPV1MAP3K12KCNH2GRM2TEAD1
SCHEMBL24790230 0.76 TEAD1 (0.50) XPO1TRPV1KCNH2JAK1TYK2
SCHEMBL24880346 0.76 TEAD1 (0.34) TRPV1MAP3K12KCNH2GRM2TEAD1

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-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
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