SCHEMBL23099474

SCHEMBL23099474

CC(C)(C)OC(=O)NCCNc1ccc(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
BCHE P06276 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
MALT1 Q9UDY8 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
TRPA1 O75762 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAP2K1 Q02750 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
MGLL Q99685 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL23099416 0.85 BCHE (0.42) BCHEMALT1PDE3BPDE3ACCNC
SCHEMBL4897023 0.82 BCHE (0.48) EGLN2BCHEMALT1DDB1CRBN
SCHEMBL29582812 0.82 EGLN2 (0.53) EGLN2GPR119TRPA1MAP2K1
SCHEMBL13862132 0.81 CDK2 (0.46) CDK2BCHEMALT1PDE3BPDE3A
SCHEMBL23099475 0.80 CDK2 (0.44) CDK2BCHEMALT1PDE3BPDE3A
SCHEMBL580876 0.79 STK17B (0.49) CCNCCDK8MGLL
SCHEMBL17623716 0.79 IRAK4 (0.43) EGLN2MGLL
SCHEMBL16935645 0.79 FFAR1 (0.46) EGLN2GPR119TRPA1AAK1CTSS
SCHEMBL27299015 0.77 CDK2 (0.39) CDK2EGLN2BCHEMALT1PDE3B
SCHEMBL25496774 0.77 MEN1 (0.45) EGLN2CCNCCDK8TRPA1MGLL

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-2021048342-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-03-18 WO disclosed