SCHEMBL4463994

SCHEMBL4463994

CCCc1cc(Cc2c(N)nc(N)nc2OC2CCN(C)C2)on1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.31
CNR2 P34972 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NMT1 P30419 1/20 0.30

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
SCHEMBL4463976 0.84 IGF1R (0.45) IGF1RHRH4NOS3NOS1NOS2
SCHEMBL4457348 0.77 HRH3 (0.35) IGF1R
SCHEMBL4469774 0.72 NUDT1 (0.49)
SCHEMBL1792954 0.69 IGF1R (0.47) IGF1R
SCHEMBL4471578 0.69 IGF1R (0.41) IGF1R
SCHEMBL4462898 0.68 KDM4E (0.39)
SCHEMBL4457341 0.61 SLC5A7 (0.44) IGF1R
SCHEMBL1715078 0.61 PPARA (0.40) NOS3NOS1NOS2
SCHEMBL4457078 0.59 IGF1R (0.41) IGF1RHRH4
SCHEMBL459183 0.59 PPARA (0.43) NOS3NOS1NOS2

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