SCHEMBL7982783

SCHEMBL7982783

CSc1nccc(-c2c3cccccc-3nc2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
CSNK1D P48730 2/20 0.50
JAK3 P52333 1/20 0.50
CSNK1E P49674 2/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL6579207 0.83 MAPK14 (0.53) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL7993156 0.80 AURKB (0.49) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1554639 0.79 MAPK14 (0.54) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL21621304 0.78 L3MBTL1 (0.58) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5799690 0.75 MAPK14 (0.57) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL3573674 0.75 LMNA (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL4974887 0.75 MAPK14 (0.81) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL7997004 0.74 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1554892 0.73 CSNK1E (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL6643486 0.73 CSNK1E (0.53) MAPK14CSNK1DJAK3CSNK1ECCNA2

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-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO claimed
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed