SCHEMBL858489

SCHEMBL858489

Cc1ccc(-c2c(C)[nH]c3ncccc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.43
LATS2 Q9NRM7 1/20 0.43
PTGS2 P35354 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
DYRK1A Q13627 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
IMPDH2 P12268 1/20 0.39
AURKA O14965 1/20 0.38
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
IL1B P01584 1/20 0.38
BRD4 O60885 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
SCHEMBL7985013 0.87 NPC1 (0.44) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL857416 0.87 MAPK13 (0.45) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL858920 0.82 MAPK13 (0.46) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL858294 0.82 NPY5R (0.46) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL858140 0.81 LATS1 (0.44) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL857451 0.81 ADORA2A (0.48) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL858414 0.81 IMPDH2 (0.50) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL858880 0.80 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3DYRK1A
SCHEMBL858101 0.80 MAPK14 (0.63) LATS1LATS2MAPK13MAPK12MAPK11
SCHEMBL857640 0.80 IMPDH2 (0.61) LATS1LATS2MAPK13MAPK12MAPK11

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
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed