SCHEMBL28297786

SCHEMBL28297786

Cc1[nH]c2ncccc2c1-c1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.41
LATS2 Q9NRM7 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
IMPDH2 P12268 1/20 0.37
AURKA O14965 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHEK1 O14757 1/20 0.34
FEN1 P39748 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL858414 0.82 IMPDH2 (0.50) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL858712 0.79 LATS1 (0.50) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL857451 0.79 ADORA2A (0.48) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL857640 0.77 IMPDH2 (0.61) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL858294 0.77 NPY5R (0.46) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL858140 0.76 LATS1 (0.44) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL858101 0.75 MAPK14 (0.63) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL859051 0.74 NPY5R (0.47) EIF2AK2
SCHEMBL857878 0.74 PIM1 (0.55) LATS1LATS2CCNB2CDK1CCNB1
SCHEMBL857345 0.74 CCNB2 (0.43) LATS1LATS2CCNB2CDK1CCNB1

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
CN-106854205-B Inhibitors of influenza virus replication and methods of use and uses thereof 广东东阳光药业有限公司 2019-07-09 CN disclosed
CN-109748915-A Inhibitors of influenza viruses replication and its application method and purposes 广东东阳光药业有限公司 2019-05-14 CN disclosed