SCHEMBL24880379

SCHEMBL24880379

CNSc1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn3c(n2)CC(C)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.35
▸ MAP3K12 Q12852 1/20 0.33
▸ TRPV1 Q8NER1 8/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ YAP1 P46937 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 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
SCHEMBL24880346 0.89 TEAD1 (0.34) TEAD1MAP3K12TRPV1KCNH2GRM2
SCHEMBL24879779 0.88 TEAD1 (0.35) TEAD1MAP3K12TRPV1KCNH2GRM2
SCHEMBL24880103 0.84 FGFR4 (0.35) TEAD1MAP3K12TRPV1KCNH2HRH3
SCHEMBL30114253 0.84 TEAD1 (0.49) TEAD1MAP3K12YAP1
SCHEMBL24879997 0.84 TEAD1 (0.49) TEAD1MAP3K12YAP1
SCHEMBL24880208 0.83 TRPV1 (0.33) TEAD1MAP3K12TRPV1KCNH2HRH3
SCHEMBL24879888 0.83 KCNH2 (0.36) TEAD1MAP3K12TRPV1KCNH2HRH3
SCHEMBL24879891 0.83 KCNH2 (0.36) TEAD1MAP3K12TRPV1KCNH2HRH3
SCHEMBL24879931 0.83 TEAD1 (0.35) TEAD1MAP3K12TRPV1KCNH2YAP1
SCHEMBL24879913 0.78 MAP4K1 (0.35) TEAD1MAP3K12TRPV1KCNH2GRM2

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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