SCHEMBL22468534

SCHEMBL22468534

CCCc1c(C(N)=O)ccc(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 7/20 0.39
▸ LPL P06858 6/20 0.39
▸ F11 P03951 3/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CXCR5 P32302 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ LDHA P00338 1/20 0.30
▸ LDHB P07195 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
SCHEMBL5707007 0.89 F11 (0.34) LIPGLPLF11F2PRSS1
SCHEMBL7046117 0.81 F11 (0.31) F11F2PRSS1PRSS2PRSS3
SCHEMBL1291127 0.80 F11 (0.35) LIPGLPLF11F2PRSS1
SCHEMBL28452781 0.77 F11 (0.35) LIPGLPLF11F2PRSS1
SCHEMBL27702319 0.75 NOS2 (0.41) MEN1ALDH1A1KMT2AHSD17B10CXCR5
SCHEMBL3823509 0.74 CCNC (0.34) F11F2PRSS1PRSS2PRSS3
SCHEMBL28273750 0.73 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHSD17B10USP2
SCHEMBL28507189 0.72 F11 (0.35) LIPGLPLF11F2PRSS1
SCHEMBL6601847 0.72 NOS2 (0.39) MEN1ALDH1A1KMT2AHSD17B10CXCR5
SCHEMBL5706992 0.72 CDC7 (0.34) F11F2PRSS1PRSS2PRSS3

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-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 — — WO disclosed
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