SCHEMBL4457348

SCHEMBL4457348

CCCc1cc(Cc2c(N)nc(N)nc2OCCN2CCCC2)on1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.35
IGF1R P08069 1/20 0.34
SPIN1 Q9Y657 2/20 0.33
LTA4H P09960 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL4471578 0.92 IGF1R (0.41) HRH3IGF1RSPIN1
SCHEMBL4457341 0.84 SLC5A7 (0.44) HRH3IGF1R
SCHEMBL4461468 0.80 PTPN1 (0.47) HRH3IGF1R
SCHEMBL4463994 0.77 IGF1R (0.31) IGF1R
SCHEMBL4469774 0.72 NUDT1 (0.49)
SCHEMBL1789469 0.70 IGF1R (0.45) HRH3IGF1R
SCHEMBL4462898 0.69 KDM4E (0.39)
SCHEMBL19056415 0.64 LTA4H (0.54) HRH3LTA4H
SCHEMBL19056693 0.64 DHFR (0.66) LTA4H
SCHEMBL19056563 0.63 LTA4H (0.53) HRH3LTA4H

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