SCHEMBL28709409

SCHEMBL28709409

CCCC1(C#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
GPR119 Q8TDV5 3/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL7682979 0.91 USP2 (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL2798365 0.89 USP2 (0.43) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL17830842 0.88 USP2 (0.45) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL29222475 0.86 USP2 (0.41) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL21325460 0.86 CYP4F2 (0.43) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL21325459 0.86 USP2 (0.41) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL23071129 0.85 USP2 (0.45) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL1476907 0.85 USP2 (0.45) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL24203546 0.85 USP2 (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL16650460 0.85 USP2 (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943144-B Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2025-05-13 CN disclosed
CN-115943144-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2023-04-07 CN disclosed
CN-114075175-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2022-02-22 CN disclosed