SCHEMBL3709482

SCHEMBL3709482

COC(=O)c1c(N)c(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)cc2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
BDKRB1 P46663 1/20 0.41
PIK3CD O00329 1/20 0.41
CAMKK2 Q96RR4 3/20 0.41
CHUK O15111 2/20 0.41
MAPK8 P45983 2/20 0.41
INSR P06213 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL3715125 0.90 CCNC (0.42) CCNCCDK8CDK19BDKRB1CAMKK2
SCHEMBL3718099 0.90 MMP2 (0.44) PIK3CDMMP2MMP8MMP13
SCHEMBL3713020 0.90 PIK3CD (0.41) CCNCCDK8CDK19PIK3CDCAMKK2
SCHEMBL3721418 0.89 CCNC (0.41) CCNCCDK8CDK19BDKRB1CAMKK2
SCHEMBL13187977 0.84 CCNC (0.45) CCNCCDK8CDK19BDKRB1CAMKK2
SCHEMBL3713512 0.83 TBK1 (0.43) MAPK1SMN1; SMN2TBK1MMP2MMP8
SCHEMBL3713224 0.83 JAK2 (0.41) PIK3CDCAMKK2MMP2MMP8MMP13
SCHEMBL3714355 0.81 MMP2 (0.42) CCNCCDK8CDK19MMP2MMP8
SCHEMBL3710999 0.81 CCNC (0.41) CCNCCDK8CDK19CAMKK2MMP2
SCHEMBL3721229 0.80 SLC2A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed