SCHEMBL4459152

SCHEMBL4459152

CC(C)c1cc(CC2(N)N=C(N)C=C(OCCN3CCCC3)N2)on1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.43
SLC5A7 Q9GZV3 2/20 0.42
HRH3 Q9Y5N1 3/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL4464502 0.99 IGF1R (0.44) IGF1RSLC5A7HRH3HTTSMN1; SMN2
SCHEMBL4458522 0.93 IGF1R (0.45) IGF1RSLC5A7HRH3
SCHEMBL4467729 0.88 IGF1R (0.42) IGF1RHRH3SMN1; SMN2KDM4E
SCHEMBL4459206 0.81 PTPN1 (0.44) IGF1R
SCHEMBL4462239 0.80 IGF1R (0.44) IGF1RSLC5A7
SCHEMBL4469451 0.76 EPHX2 (0.33) IGF1R
SCHEMBL4462384 0.76 IGF1R (0.40) IGF1RSLC5A7
SCHEMBL4464010 0.74 IGF1R (0.40) IGF1RSLC5A7
SCHEMBL4458966 0.70 IGF1R (0.44) IGF1RTLR8TLR7
SCHEMBL4457341 0.67 SLC5A7 (0.44) IGF1RSLC5A7HRH3HTTSMN1; 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 disclosed