SCHEMBL5494498

SCHEMBL5494498

CC1(C)OB(c2ncc3ccccc3n2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 4/20 0.40
▸ LIPG Q9Y5X9 4/20 0.40
▸ ALPL P05186 1/20 0.37
▸ CYP1A2 P05177 6/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL2268694 0.72 LPL (0.45) LPLLIPGALPLCYP1A2HTR3A
SCHEMBL29781408 0.72 LPL (0.45) LPLLIPGALPLCYP1A2HTR3A
SCHEMBL167417 0.72 ALPL (0.57) LPLLIPGALPLCYP1A2HTR3A
SCHEMBL20295219 0.71 ALDH1A1 (0.40) LPLLIPGALPLHTR3AHRH4
SCHEMBL15400071 0.71 LPL (0.47) LPLLIPGALPLCYP1A2HTR3A
SCHEMBL24553464 0.71 DYRK1A (0.31) —
SCHEMBL30129950 0.71 LPL (0.38) LPLLIPGALPLCYP1A2KDM4E
SCHEMBL24876794 0.71 LPL (0.38) LPLLIPGALPLCYP1A2KDM4E
SCHEMBL20104346 0.70 NUDT1 (0.46) LPLLIPGKDM4EHTTALDH1A1
SCHEMBL21709413 0.68 LPL (0.51) LPLLIPGKDM4EHTTALDH1A1

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
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — WO disclosed
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