SCHEMBL4458522

SCHEMBL4458522

CC(C)c1cc(CC2(N)N=C(N)C=C(OCCN3CCOCC3)N2)on1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.45
SLC5A7 Q9GZV3 2/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPC1 O15118 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4459152 0.93 IGF1R (0.43) IGF1RSLC5A7HRH3
SCHEMBL4464502 0.92 IGF1R (0.44) IGF1RSLC5A7HRH3
SCHEMBL4464010 0.80 IGF1R (0.40) IGF1RSLC5A7
SCHEMBL4462239 0.78 IGF1R (0.44) IGF1RSLC5A7NPC1
SCHEMBL4459340 0.75 PTPN1 (0.43) IGF1R
SCHEMBL4469451 0.75 EPHX2 (0.33) IGF1R
SCHEMBL4462384 0.74 IGF1R (0.40) IGF1RSLC5A7
SCHEMBL4459206 0.74 PTPN1 (0.44) IGF1R
SCHEMBL4458966 0.69 IGF1R (0.44) IGF1R
SCHEMBL4471687 0.67 IGF1R (0.38) IGF1RMEN1KMT2A

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 2 patents. 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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed