SCHEMBL24500992

SCHEMBL24500992

CC(C)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 4/20 0.48
▸ YAP1 P46937 1/20 0.48
▸ PANK3 Q9H999 1/20 0.36
▸ TRPV1 Q8NER1 6/20 0.36
▸ KCNH2 Q12809 4/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34

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
SCHEMBL24497427 0.85 TEAD1 (0.50) TEAD1YAP1TRPV1KCNH2GABRA1
SCHEMBL29648357 0.85 TEAD1 (0.50) TEAD1YAP1TRPV1KCNH2GABRA1
SCHEMBL24501692 0.83 TEAD1 (0.59) TEAD1YAP1KCNH2GABRA1GABRG2
SCHEMBL24790230 0.82 TEAD1 (0.50) TEAD1YAP1TRPV1KCNH2GABRA1
SCHEMBL24496101 0.81 TEAD1 (0.49) TEAD1YAP1TRPV1KCNH2JAK1
SCHEMBL24501068 0.81 TEAD1 (0.61) TEAD1YAP1KCNH2GABRA1GABRG2
SCHEMBL24501728 0.81 TEAD1 (0.61) TEAD1YAP1TRPV1KCNH2GABRA1
SCHEMBL24496100 0.80 TLR2 (0.51) TEAD1YAP1TRPV1KCNH2JAK1
SCHEMBL22718190 0.80 TEAD1 (0.77) TEAD1YAP1TSHRL3MBTL1MAPK10
SCHEMBL29438880 0.80 TEAD1 (0.77) TEAD1YAP1TSHRL3MBTL1MAPK10

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-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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