SCHEMBL7028933

SCHEMBL7028933

CCc1ccc2oc3cc(C#N)c(N)nc3c(=O)c2c1.N#Cc1cc2oc3ccc(Br)cc3c(=O)c2nc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 6/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ CSNK2B P67870 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ IKBKE Q14164 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL11354192 0.94 TBK1 (0.37) TBK1HSD17B10KMT2AIKBKEKDM4E
SCHEMBL11367261 0.79 NT5E (0.45) KCNH2HSD17B10KMT2ACSNK2BCSNK2A1
SCHEMBL6206386 0.78 TBK1 (0.51) TBK1IKBKEKDM4E
SCHEMBL29674734 0.78 TBK1 (0.51) TBK1IKBKEKDM4E
SCHEMBL11375422 0.77 GPR35 (0.46) KCNH2HSD17B10KMT2APIM1CDC7
SCHEMBL11375110 0.76 TBK1 (0.48) TBK1KMT2AIKBKEKDM4ESMN1; SMN2
SCHEMBL11107442 0.76 TBK1 (0.51) TBK1HSD17B10KMT2ACSNK2BCSNK2A1
SCHEMBL2238422 0.74 TBK1 (0.63) TBK1IKBKEKDM4E
SCHEMBL2907432 0.74 TBK1 (0.56) TBK1IKBKEKDM4E
SCHEMBL11368425 0.74 TBK1 (0.46) TBK1IKBKEKDM4EPOLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095011-A4 NOVEL FLUORESCENT LANTHANIDE CHELATES SMITHKLINE BEECHAM CORP (US) 2003-01-08 — — EP disclosed
EP-1095011-A1 NOVEL FLUORESCENT LANTHANIDE CHELATES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-02 — — EP disclosed
WO-2000001663-A1 NOVEL FLUORESCENT LANTHANIDE CHELATES SMITHKLINE BEECHAM CORPORATION (US) 2000-01-13 — — WO disclosed
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