SCHEMBL31704762

SCHEMBL31704762

COC(=O)c1nccc(C2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ HTR2C P28335 1/20 0.40
▸ PLAT P00750 3/20 0.39
▸ USP7 Q93009 1/20 0.37
▸ CDK9 P50750 4/20 0.37
▸ CCNT1 O60563 3/20 0.37
▸ MAP3K12 Q12852 3/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL31705555 0.92 HRH4 (0.44) TLR9TLR8HTR2CPLATCDK9
SCHEMBL15264604 0.90 KDM4E (0.40) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31705552 0.78 MEN1 (0.41) TLR9TLR8
SCHEMBL410932 0.76 CNR2 (0.49) TLR9TLR8HTR2CPLAT
SCHEMBL31705767 0.75 TRPV3 (0.48) KDM4E
SCHEMBL31705194 0.73 TLR9 (0.48) TLR9TLR8HTR2CPLAT
SCHEMBL12146362 0.72 MAP3K12 (0.41) TLR9TLR8HTR2CUSP7MAP3K12
SCHEMBL31685724 0.72 MAP3K12 (0.41) TLR9TLR8HTR2CUSP7MAP3K12
SCHEMBL31706338 0.72 HRH3 (0.52) KDM4E
SCHEMBL31706298 0.72 HRH3 (0.52) KDM4E

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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