SCHEMBL9944033

SCHEMBL9944033

O=CN1CCCCC1c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.52
FGFR1 P11362 7/20 0.49
FLT1 P17948 6/20 0.49
ABL1 P00519 2/20 0.47
CHEK1 O14757 2/20 0.44
WNT1 P04628 1/20 0.43
TGFBR1 P36897 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
FLT3 P36888 1/20 0.42

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
SCHEMBL9944048 0.97 PDPK1 (0.52) PDPK1FGFR1FLT1ABL1CHEK1
SCHEMBL1225651 0.77 PDPK1 (0.50) PDPK1FGFR1FLT1CHEK1WNT1
SCHEMBL9944050 0.77 PDPK1 (0.50) PDPK1FGFR1FLT1CHEK1WNT1
SCHEMBL12885898 0.73 CCNC (0.55) PDPK1CHEK1FLT3
SCHEMBL4432759 0.73 PDPK1 (0.67) PDPK1FGFR1FLT1ABL1CHEK1
SCHEMBL1224541 0.72 FLT3 (0.61) PDPK1FGFR1FLT1CHEK1FLT3
SCHEMBL1224994 0.71 FLT3 (0.60) PDPK1FGFR1FLT1CHEK1FLT3
SCHEMBL12885878 0.71 FLT3 (0.61) PDPK1CHEK1FLT3
SCHEMBL3533024 0.70 PDPK1 (0.73) PDPK1FGFR1FLT1ABL1CHEK1
SCHEMBL12885890 0.69 PDPK1 (0.50) PDPK1FGFR1FLT1CHEK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464231-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF Epitherix, LLC (US) 2012-06-20 EP disclosed