SCHEMBL4457341

SCHEMBL4457341

CC(C)c1cc(Cc2c(N)nc(N)nc2OCCN2CCCC2)on1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 2/20 0.44
IGF1R P08069 5/20 0.44
HRH3 Q9Y5N1 5/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL4471578 0.86 IGF1R (0.41) IGF1RHRH3SMN1; SMN2KDM4E
SCHEMBL4457348 0.84 HRH3 (0.35) IGF1RHRH3
SCHEMBL1788923 0.82 IGF1R (0.47) SLC5A7IGF1R
SCHEMBL4461468 0.80 PTPN1 (0.47) IGF1RHRH3ADORA2AADORA1
SCHEMBL1790427 0.78 ALDH1A1 (0.36) IGF1RHRH3SMN1; SMN2
SCHEMBL4463976 0.77 IGF1R (0.45) SLC5A7IGF1RHRH3
SCHEMBL1791206 0.75 IGF1R (0.61) SLC5A7IGF1R
SCHEMBL4457078 0.75 IGF1R (0.41) IGF1RHRH3
SCHEMBL4469769 0.72 NUDT1 (0.46) SLC5A7IGF1RHTTSMN1; SMN2KDM4E
SCHEMBL14310329 0.71 IGF1R (0.66) SLC5A7IGF1R

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