SCHEMBL29197698

SCHEMBL29197698

CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.43
PDE10A Q9Y233 1/20 0.42
RET P07949 4/20 0.40
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
PRMT5 O14744 2/20 0.38
CHRM4 P08173 1/20 0.37
PIK3CD O00329 2/20 0.37
GPR119 Q8TDV5 3/20 0.37
DGAT1 O75907 1/20 0.36
MCHR1 Q99705 2/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 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
SCHEMBL30112336 1.00 AAK1 (0.43) AAK1PDE10ARETCKS1BSKP1
SCHEMBL24873015 0.91 PDE10A (0.40) AAK1PDE10APRMT5CHRM4PIK3CD
SCHEMBL25074365 0.87 RET (0.40) RETCKS1BSKP1SKP2PRMT5
SCHEMBL24873234 0.87 PIK3CD (0.39) AAK1PDE10APRMT5PIK3CDGPR119
SCHEMBL30112427 0.87 PIK3CD (0.39) AAK1PDE10APRMT5PIK3CDGPR119
SCHEMBL24670866 0.86 CKS1B (0.42) RETCKS1BSKP1SKP2PRMT5
SCHEMBL30888783 0.86 CKS1B (0.42) RETCKS1BSKP1SKP2PRMT5
SCHEMBL29990537 0.86 GPR119 (0.42) CKS1BSKP1SKP2PRMT5PIK3CD
SCHEMBL24670657 0.86 GPR119 (0.42) CKS1BSKP1SKP2PRMT5PIK3CD
SCHEMBL30661508 0.84 AAK1 (0.38) AAK1PDE10ARETCKS1BSKP1

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-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed