SCHEMBL31331755

SCHEMBL31331755

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2-c2cn(C3CCC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 4/20 0.41
▸ CDK5R1 Q15078 4/20 0.41
▸ CCR6 P51684 1/20 0.40
▸ PIK3CA P42336 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 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
SCHEMBL31331799 0.97 CCR6 (0.41) CDK5CDK5R1CCR6PIK3CAPRKDC
SCHEMBL31332132 0.87 CDK5 (0.40) CDK5CDK5R1CNR1CNR2
SCHEMBL29438872 0.86 CCR6 (0.43) CDK5CDK5R1CCR6PIK3CAHCRTR1
SCHEMBL22718316 0.86 CCR6 (0.43) CDK5CDK5R1CCR6PIK3CAHCRTR1
SCHEMBL31331877 0.85 CDK5 (0.39) CDK5CDK5R1CCR6LIPEKDM4E
SCHEMBL31331781 0.84 LIPE (0.41) CDK5CDK5R1CCR6LIPEKDM4E
SCHEMBL22718447 0.83 CCR6 (0.44) CDK5CDK5R1CCR6HCRTR2KDM4E
SCHEMBL31331820 0.81 TNNI3K (0.46) PIK3CAPRKDCHCRTR1HCRTR2KDM4E
SCHEMBL24496211 0.78 CCR6 (0.41) CDK5CDK5R1CCR6KDM4EMEN1
SCHEMBL29648363 0.78 CCR6 (0.41) CDK5CDK5R1CCR6KDM4EMEN1

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
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
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