SCHEMBL16664927

SCHEMBL16664927

CCCNc1cc(-c2cnc(C(C)(C)O)c(F)c2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.38
FLT3 P36888 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
GAS6 Q14393 2/20 0.36
PIK3CA P42336 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL15473118 0.85 FAAH (0.43) FAAH
SCHEMBL16664949 0.81 FLT3 (0.39) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664909 0.75 CYP1A2 (0.43) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664987 0.74 CYP1A2 (0.46) FAAHCYP1A2TSHRKDM4ECYP3A4
SCHEMBL19355466 0.73 CYP1A2 (0.36) FAAHCYP1A2TSHRCYP3A4ALOX15
SCHEMBL16664919 0.72 PIK3CA (0.44) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664911 0.72 FAAH (0.43) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16664990 0.71 MAPT (0.45) PIK3CACYP1A2TSHRCYP3A4ALOX15
SCHEMBL16664979 0.70 FAAH (0.39) FAAHFLT3TYRO3MERTKGAS6
SCHEMBL16665010 0.70 FAAH (0.41) 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