SCHEMBL29438827

SCHEMBL29438827

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 4/20 0.54
▸ TEAD1 P28347 1/20 0.53
▸ YAP1 P46937 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ CCR6 P51684 2/20 0.47
▸ BRAF P15056 4/20 0.45
▸ IDH2 P48735 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ METAP1 P53582 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
SCHEMBL22718227 1.00 TNNI3K (0.54) TNNI3KTEAD1YAP1MAPTCCR6
SCHEMBL24496003 0.85 TEAD1 (0.50) TNNI3KTEAD1YAP1MAPTBRAF
SCHEMBL24496013 0.84 TEAD1 (0.49) TNNI3KTEAD1YAP1MAPTCCR6
SCHEMBL29648401 0.83 TEAD1 (0.51) TNNI3KTEAD1YAP1MAPTBRAF
SCHEMBL24496260 0.83 TEAD1 (0.51) TNNI3KTEAD1YAP1MAPTBRAF
SCHEMBL29438880 0.83 TEAD1 (0.77) TNNI3KTEAD1YAP1MAPTBRAF
SCHEMBL22718190 0.83 TEAD1 (0.77) TNNI3KTEAD1YAP1MAPTBRAF
SCHEMBL22843482 0.83 CCR6 (0.43) TNNI3KTEAD1YAP1MAPTCCR6
SCHEMBL24496005 0.83 TNNI3K (0.51) TNNI3KTEAD1YAP1MAPTCCR6
SCHEMBL29648405 0.83 TNNI3K (0.51) TNNI3KTEAD1YAP1MAPTCCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954725-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-05-09 — — CN disclosed
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 — — CN disclosed
EP-3976194-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 — — EP disclosed
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