SCHEMBL4463976

SCHEMBL4463976

CC(C)c1cc(Cc2c(N)nc(N)nc2OC2CCN(C)C2)on1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.45
SLC5A7 Q9GZV3 8/20 0.42
HRH4 Q9H3N8 2/20 0.33
NPC1 O15118 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL4463994 0.84 IGF1R (0.31) IGF1RHRH4NOS3NOS1NOS2
SCHEMBL1792954 0.83 IGF1R (0.47) IGF1RSLC5A7
SCHEMBL1792577 0.78 IGF1R (0.46) IGF1RSLC5A7
SCHEMBL1792505 0.78 IGF1R (0.62) IGF1RSLC5A7
SCHEMBL4457341 0.77 SLC5A7 (0.44) IGF1RSLC5A7HRH3
SCHEMBL2298500 0.77 IGF1R (0.44) IGF1RSLC5A7
SCHEMBL1790427 0.77 ALDH1A1 (0.36) IGF1RNOS3NOS1NOS2HRH3
SCHEMBL4457078 0.76 IGF1R (0.41) IGF1RHRH4HRH3
SCHEMBL4469769 0.72 NUDT1 (0.46) IGF1RSLC5A7NOS1
SCHEMBL1792455 0.69 IGF1R (0.57) IGF1R

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed