SCHEMBL31332132

SCHEMBL31332132

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3cc(C(F)(F)F)ccn3)cc2-c2cn(C3CC3)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 6/20 0.40
▸ CDK5R1 Q15078 6/20 0.40
▸ SYK P43405 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ NEK4 P51957 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ HIPK4 Q8NE63 1/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ MAP3K20 Q9NYL2 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ MAP4K5 Q9Y4K4 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ MAP3K12 Q12852 2/20 0.34
▸ RAF1 P04049 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 0.90 CCR6 (0.41) CDK5CDK5R1CNR1CNR2
SCHEMBL31331755 0.87 CDK5 (0.41) CDK5CDK5R1CNR1CNR2
SCHEMBL22718287 0.85 CDK5 (0.38) CDK5CDK5R1SYKKDRCLK2
SCHEMBL31331704 0.80 TEAD1 (0.41) SYKMAP3K12
SCHEMBL31331877 0.77 CDK5 (0.39) CDK5CDK5R1
SCHEMBL22718447 0.75 CCR6 (0.44) CDK5CDK5R1
SCHEMBL31331781 0.75 LIPE (0.41) CDK5CDK5R1
SCHEMBL22718289 0.74 TEAD1 (0.47) SYKKDRCLK2IRAK1NEK4
SCHEMBL29438894 0.74 TEAD1 (0.47) SYKKDRCLK2IRAK1NEK4
SCHEMBL22718316 0.73 CCR6 (0.43) CDK5CDK5R1CNR1CNR2

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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