SCHEMBL7700399

SCHEMBL7700399

CC(C)(C)c1ccc(Cn2cc(C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.45
ADK P55263 1/20 0.43
RET P07949 15/20 0.43
CFD P00746 1/20 0.43
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39

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
SCHEMBL7704452 0.89 HTT (0.41) FLT3RETPI4KAPI4K2BPI4K2A
SCHEMBL8991269 0.89 PI4KA (0.39) FLT3RETPI4KAPI4K2BPI4K2A
SCHEMBL7695931 0.87 ADK (0.46) FLT3ADKRETCFDPI4KB
SCHEMBL7700275 0.85 CFD (0.47) FLT3ADKRETCFD
SCHEMBL7701218 0.84 RET (0.52) FLT3ADKRETCFDPI4KA
SCHEMBL7701895 0.84 EGFR (0.45) ADKRETCFD
SCHEMBL8991275 0.84 FLT3 (0.43) FLT3RETPI4KAPI4K2BPI4K2A
SCHEMBL7704457 0.84 FLT3 (0.41) FLT3RETPI4KAPI4K2BPI4K2A
SCHEMBL7704315 0.81 SLC29A1 (0.44) ADKCFD
SCHEMBL7695714 0.79 ADRA1D (0.51) FLT3ADKRETCFD

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed