SCHEMBL14988985

SCHEMBL14988985

CCN(CC)CCNCc1ccc(/C=C/c2n[nH]c3ccccc23)c(NC(=O)Oc2sccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.46
▸ AURKB Q96GD4 4/20 0.46
▸ KDR P35968 4/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL4317617 0.88 AURKA (0.58) AURKAAURKBKDRMEN1KMT2A
SCHEMBL4317606 0.88 AURKA (0.58) AURKAAURKBKDRMEN1KMT2A
SCHEMBL14989121 0.85 AURKA (0.48) AURKAAURKBKDRMEN1KMT2A
SCHEMBL14989062 0.83 AURKA (0.48) AURKAAURKBKDRSMN1; SMN2FGFR1
SCHEMBL14989028 0.82 AURKA (0.46) AURKAAURKBKDRSMN1; SMN2FLT1
SCHEMBL14989222 0.82 AURKA (0.57) AURKAAURKBKDRMEN1KMT2A
SCHEMBL14989042 0.82 AURKA (0.59) AURKAAURKBKDRFLT1FGFR1
SCHEMBL14989166 0.80 AURKA (0.60) AURKAAURKBKDRMEN1KMT2A
SCHEMBL14989004 0.80 AURKA (0.58) AURKAAURKBKDRFLT1FGFR1
Hydrochloric Acid SCHEMBL14989099 0.79 AURKB (0.56) AURKAAURKBFLT1FGFR1

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
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 — — EP claimed
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