SCHEMBL4471578

SCHEMBL4471578

CCc1cc(Cc2c(N)nc(N)nc2OCCN2CCCC2)on1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.41
HRH3 Q9Y5N1 10/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
SPIN1 Q9Y657 2/20 0.34

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
SCHEMBL4457348 0.92 HRH3 (0.35) IGF1RHRH3SPIN1
SCHEMBL4457341 0.86 SLC5A7 (0.44) IGF1RHRH3KDM4ESMN1; SMN2
SCHEMBL4461468 0.81 PTPN1 (0.47) IGF1RHRH3
SCHEMBL1789469 0.71 IGF1R (0.45) IGF1RHRH3
SCHEMBL1788923 0.69 IGF1R (0.47) IGF1R
SCHEMBL4463994 0.69 IGF1R (0.31) IGF1R
SCHEMBL4469774 0.63 NUDT1 (0.49) KDM4EALDH1A1
SCHEMBL4463976 0.63 IGF1R (0.45) IGF1RHRH3
SCHEMBL19056415 0.61 LTA4H (0.54) HRH3
SCHEMBL1715716 0.59 RAB9A (0.39) SMN1; SMN2

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