SCHEMBL17525326

SCHEMBL17525326

CCc1ccc(NC(=O)Nc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 14/20 0.70
▸ AKT1 P31749 1/20 0.66
▸ TGFBR1 P36897 1/20 0.66
▸ GSK3A P49840 1/20 0.66
▸ GSK3B P49841 1/20 0.66
▸ STK4 Q13043 1/20 0.66
▸ STK3 Q13188 1/20 0.66
▸ BMPR2 Q13873 1/20 0.66
▸ STK26 Q9P289 1/20 0.66
▸ STK24 Q9Y6E0 1/20 0.66
▸ SRC P12931 3/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ YES1 P07947 1/20 0.64
▸ HCK P08631 1/20 0.64
▸ NEK1 Q96PY6 1/20 0.64
▸ CCNK O75909 1/20 0.60
▸ CDK13 Q14004 1/20 0.60
▸ CDK12 Q9NYV4 1/20 0.60

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
SCHEMBL17525328 0.92 SRC (0.69) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525309 0.90 NEK1 (0.67) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525325 0.89 NEK1 (0.82) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525341 0.88 IGF1R (0.64) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525343 0.88 NEK1 (0.67) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525331 0.88 NEK1 (0.67) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525342 0.87 SRC (0.64) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525314 0.87 SRC (0.64) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525339 0.87 IGF1R (0.72) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL17525310 0.87 SRC (0.64) IGF1RAKT1TGFBR1GSK3AGSK3B

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-2016022839-A1 MODULATORS OF IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — WO disclosed
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