SCHEMBL16664979

SCHEMBL16664979

CCCNc1cc(-c2cnc(SC)nc2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
GAS6 Q14393 2/20 0.38
CLK4 Q9HAZ1 7/20 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
PIK3CA P42336 1/20 0.36
CYP1A2 P05177 10/20 0.36
ALDH1A1 P00352 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
SCHEMBL16665010 0.80 FAAH (0.41) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664909 0.79 CYP1A2 (0.43) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664949 0.78 FLT3 (0.39) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664969 0.76 KDM4E (0.47) FAAHCLK4CDC7ROCK2MAP4K4
SCHEMBL16664919 0.76 PIK3CA (0.44) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL15343048 0.76 KDM4E (0.47) FAAHCLK4CDC7ROCK2MAP4K4
SCHEMBL18902711 0.76 CYP1A2 (0.53) FAAHCLK4CYP1A2ALDH1A1CYP3A4
SCHEMBL16664911 0.76 FAAH (0.43) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL15356645 0.76 FLT3 (0.41) FLT3TYRO3MERTKGAS6CLK4
SCHEMBL16660259 0.75 KDM4E (0.52) FAAHFLT3TYRO3MERTKGAS6

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