SCHEMBL29704149

SCHEMBL29704149

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)cc1-c1cn(CCO)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 2/20 0.47
▸ MAPT P10636 2/20 0.44
▸ TEAD1 P28347 1/20 0.44
▸ YAP1 P46937 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 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
SCHEMBL31332175 0.86 TNNI3K (0.47) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL24496280 0.82 TEAD1 (0.59) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL31331952 0.81 TNNI3K (0.47) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL31331820 0.80 TNNI3K (0.46) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL24496353 0.72 TEAD1 (0.57) TNNI3KMAPTTEAD1YAP1TLR2
SCHEMBL24497429 0.70 MAPT (0.66) TNNI3KMAPTTEAD1YAP1KDM4E
SCHEMBL31331781 0.70 LIPE (0.41) TNNI3KMAPTKDM4EMEN1KMT2A
SCHEMBL31331704 0.69 TEAD1 (0.41) TNNI3KMAPTTEAD1YAP1
SCHEMBL22718126 0.69 TEAD1 (0.55) TNNI3KMAPTTEAD1YAP1TLR2
SCHEMBL22718190 0.69 TEAD1 (0.77) TNNI3KMAPTTEAD1YAP1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281073-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2023-11-29 — — EP disclosed
WO-2022159986-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2022-07-28 — — WO disclosed
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