SCHEMBL16665010

SCHEMBL16665010

CCCNc1cc(-c2cnc(C(C)C)nc2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.41
PIK3CA P42336 1/20 0.40
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
CLK4 Q9HAZ1 5/20 0.37
HRH4 Q9H3N8 1/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
DNM2 P50570 2/20 0.37
CYP1A2 P05177 7/20 0.36

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
SCHEMBL15356586 0.84 FAAH (0.47) FAAHPIK3CAHRH4PRKDC
SCHEMBL16665002 0.82 PIK3CA (0.45) FAAHPIK3CACLK4HRH4CDC7
SCHEMBL16664979 0.80 FAAH (0.39) FAAHPIK3CAFLT3TYRO3MERTK
SCHEMBL16664909 0.79 CYP1A2 (0.43) FAAHPIK3CAFLT3TYRO3MERTK
SCHEMBL16664949 0.78 FLT3 (0.39) FAAHPIK3CAFLT3TYRO3MERTK
SCHEMBL16664954 0.78 FAAH (0.46) FAAHPIK3CACLK4CYP1A2ALDH1A1
SCHEMBL18627034 0.78 PIK3CA (0.43) FAAHPIK3CACLK4HRH4CYP1A2
SCHEMBL16664919 0.76 PIK3CA (0.44) FAAHPIK3CAFLT3TYRO3MERTK
SCHEMBL16664969 0.76 KDM4E (0.47) FAAHPIK3CACLK4CDC7ROCK2
SCHEMBL15343048 0.76 KDM4E (0.47) FAAHPIK3CACLK4CDC7ROCK2

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
WO-2015058031-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 WO disclosed