SCHEMBL388627

SCHEMBL388627

O=C(O)n1ncc2cc(CO)c(F)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3A P49840 1/20 0.34
LIMK1 P53667 1/20 0.34
IKBKE Q14164 1/20 0.34
MAPK14 Q16539 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MET P08581 3/20 0.33
KMO O15229 3/20 0.33
MAPK1 P28482 5/20 0.33
SMO Q99835 2/20 0.32
MAPT P10636 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL388670 0.87 KMO (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29241416 0.81 CHEK1 (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3515408 0.78 CHEK1 (0.42) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3710758 0.76 ERN1 (0.34) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL24338666 0.71 NOTUM (0.40) METMAPK1
SCHEMBL12058336 0.68 EGFR (0.41) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17848033 0.68 CHEK1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17847964 0.68 CCR9 (0.39) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15687367 0.68 HTR2A (0.45) MAPK14KMOMAPK1SMO
SCHEMBL15687361 0.66 RECQL (0.54) MAPK1GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
CN-102159579-A Tricyclic indole derivatives and methods of use thereof SCHERING CORP 2011-08-17 CN disclosed
EP-2303893-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2011-04-06 EP disclosed
CN-101842374-A 2, 3-substituted azaindole derivatives for the treatment of viral infections SCHERING CORP 2010-09-22 CN disclosed
CN-101842376-A Tetracyclic indole derivatives and being used for the treatment of or prophylaxis of viral infections SCHERING CORP 2010-09-22 CN disclosed
EP-2195317-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-16 EP disclosed
WO-2009152200-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-12-17 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032125-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed