SCHEMBL31331704

SCHEMBL31331704

CNS(=O)(=O)c1ccc(Nc2cc(C(F)(F)F)ccn2)cc1-c1cn(C2CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ KIF11 P52732 3/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ MAP3K12 Q12852 9/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SYK P43405 2/20 0.36

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
SCHEMBL31331952 0.88 TNNI3K (0.47) TEAD1YAP1TNNI3KMAPT
SCHEMBL31331820 0.84 TNNI3K (0.46) TEAD1YAP1TNNI3KMAP3K12MAPT
SCHEMBL22718177 0.82 TEAD1 (0.55) TEAD1YAP1TNNI3KMAP3K12MAPT
SCHEMBL31332132 0.80 CDK5 (0.40) MAP3K12SYK
SCHEMBL20779719 0.73 TEAD1 (0.74) TEAD1YAP1TNNI3KMAPT
SCHEMBL20766734 0.73 TEAD1 (0.60) TEAD1YAP1TNNI3KMAPT
SCHEMBL29901824 0.73 TEAD1 (0.60) TEAD1YAP1TNNI3KMAPT
SCHEMBL22843401 0.71 TEAD1 (0.39) TEAD1YAP1MAP3K12SYK
SCHEMBL22718131 0.70 TEAD1 (0.58) TEAD1YAP1TNNI3KMAPT
SCHEMBL31331799 0.69 CCR6 (0.41) MAPT

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
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 — — CN disclosed
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