SCHEMBL1129040

SCHEMBL1129040

Brc1ccc2[nH]nc(CCc3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
CSF1R P07333 1/20 0.56
FER P16591 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
FLT4 P35916 1/20 0.56
FLT3 P36888 1/20 0.56
MAPK9 P45984 1/20 0.56
CSNK1D P48730 1/20 0.56
CLK2 P49760 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK1G2 P78368 1/20 0.56
MAP4K2 Q12851 1/20 0.56
STK3 Q13188 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 0.56
DYRK1A Q13627 1/20 0.56

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
SCHEMBL1129198 0.88 PDPK1 (0.50) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL1129160 0.86 MAP4K4 (0.58) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL6780936 0.81 NTRK1 (0.44) MAP4K4CDK2AURKBCLK4MKNK2
SCHEMBL1144803 0.80 PDPK1 (0.54) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL5796193 0.78 ITK (0.48) CCNCCDK8NTRK1MEN1KMT2A
SCHEMBL8138818 0.77 PDPK1 (0.56) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL22632566 0.76 PDPK1 (0.50) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL182234 0.76 PDPK1 (0.58) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL1271820 0.76 PDPK1 (0.58) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL14338765 0.76 PDPK1 (0.58) DCLK1PRKD3MAP4K4CHEK2CSF1R

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
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed