SCHEMBL27299015

SCHEMBL27299015

COC(=O)c1cc(F)c(NCCNC(=O)OC(C)(C)C)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.39
TRPA1 O75762 1/20 0.39
BCHE P06276 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
CTSS P25774 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
CTSK P43235 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HPGD P15428 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL27298994 0.83 CDK2 (0.41) CDK2BCHEPDE3BPDE3AMALT1
SCHEMBL23099474 0.77 CDK2 (0.43) CDK2TRPA1BCHEPDE3BPDE3A
SCHEMBL25513515 0.76 PDE3B (0.45) CDK2BCHEPDE3BPDE3AMALT1
SCHEMBL16703087 0.76 CDK2 (0.46) CDK2BCHEPDE3BPDE3AMALT1
SCHEMBL21710418 0.75 MALT1 (0.40) CDK2TRPA1BCHEPDE3BPDE3A
SCHEMBL21710422 0.74 AAK1 (0.46) CDK2BCHEPDE3BPDE3AMALT1
SCHEMBL20076225 0.73 TRPA1 (0.42) CDK2TRPA1BCHEPDE3BPDE3A
SCHEMBL6510593 0.73 KDM4E (0.61) BCHEMALT1KDM4EGAAMAPT
SCHEMBL3360033 0.72 STK17B (0.46) BCHEMALT1STK17BSTK17A
SCHEMBL5356658 0.72 GAA (0.49) KDM4EGAAMAPTRXFP1HPGD

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-2023249968-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIDO[2,3-DJPYRIMIDIN-7(8H)-ONE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed