SCHEMBL3710758

SCHEMBL3710758

O=Cc1cc2cnn(C(=O)O)c2cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.34
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
MAPT P10636 1/20 0.32
KMO O15229 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
SCHEMBL389988 0.80 EGFR (0.44) ERN1CHEK1AURKADAPK3CSNK1A1
SCHEMBL3515408 0.78 CHEK1 (0.42) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1160915 0.76 MAOB (0.39) ERN1
SCHEMBL15968896 0.72 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31632927 0.70 CYP11B1 (0.48) MAPK14
SCHEMBL29804021 0.66 KMT2A (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15639676 0.66 CHEK1 (0.39) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL20791823 0.66 SLC22A12 (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL18168026 0.66 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL248719 0.65 ERN1 (0.50) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159579-A Tricyclic indole derivatives and methods of use thereof SCHERING CORP 2011-08-17 CN disclosed
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed