SCHEMBL16664949

SCHEMBL16664949

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.39
TYRO3 Q06418 3/20 0.39
MERTK Q12866 3/20 0.39
GAS6 Q14393 3/20 0.39
FAAH O00519 7/20 0.38
PIK3CA P42336 1/20 0.37
CLK4 Q9HAZ1 4/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
DNM2 P50570 2/20 0.35
CYP1A2 P05177 5/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL16664909 0.85 CYP1A2 (0.43) FLT3TYRO3MERTKGAS6FAAH
SCHEMBL16664927 0.81 FAAH (0.38) FLT3TYRO3MERTKGAS6FAAH
SCHEMBL16665010 0.78 FAAH (0.41) FLT3TYRO3MERTKGAS6FAAH
SCHEMBL16664979 0.78 FAAH (0.39) FLT3TYRO3MERTKGAS6FAAH
SCHEMBL16664919 0.77 PIK3CA (0.44) FLT3TYRO3MERTKGAS6FAAH
SCHEMBL16664911 0.76 FAAH (0.43) FLT3TYRO3MERTKGAS6FAAH
SCHEMBL16664954 0.75 FAAH (0.46) FAAHPIK3CACLK4CYP1A2ALDH1A1
SCHEMBL16665002 0.75 PIK3CA (0.45) FAAHPIK3CACLK4CDC7ROCK2
SCHEMBL16664969 0.74 KDM4E (0.47) FAAHPIK3CACLK4CDC7ROCK2
SCHEMBL15343048 0.74 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