SCHEMBL14989028

SCHEMBL14989028

Cc1ccsc1OC(=O)Nc1cc(CNC2CCNCC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.46
▸ AURKB Q96GD4 6/20 0.46
▸ KDR P35968 6/20 0.34
▸ FLT1 P17948 4/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ BMPR1B O00238 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ STK25 O00506 1/20 0.34
▸ CIT O14578 1/20 0.34
▸ RIOK3 O14730 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ DCLK1 O15075 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ MUSK O15146 1/20 0.34
▸ EPHB6 O15197 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ MAP3K13 O43283 1/20 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
SCHEMBL4320407 0.88 AURKA (0.58) AURKAAURKBKDRFLT1NTRK1
SCHEMBL4320414 0.88 AURKA (0.58) AURKAAURKBKDRFLT1NTRK1
SCHEMBL14989042 0.83 AURKA (0.59) AURKAAURKBKDRFLT1NTRK1
SCHEMBL14988985 0.82 AURKA (0.46) AURKAAURKBKDRFLT1FGFR1
SCHEMBL14989027 0.82 AURKA (0.49) AURKAAURKBKDRFLT1NTRK1
SCHEMBL14989071 0.82 AURKA (0.49) AURKAAURKBKDRFLT1NTRK1
SCHEMBL14988993 0.82 AURKA (0.54) AURKAAURKBFLT1FGFR1SMN1; SMN2
SCHEMBL14989335 0.82 AURKA (0.54) AURKAAURKBFLT1FGFR1
SCHEMBL14989222 0.81 AURKA (0.57) AURKAAURKBKDRFLT1NTRK1
SCHEMBL14989359 0.81 AURKA (0.53) AURKAAURKBKDRFLT1NTRK1

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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