SCHEMBL20112905

SCHEMBL20112905

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C=N)c1N

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.33
LIPG Q9Y5X9 6/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
F11 P03951 1/20 0.31
FFAR1 O14842 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
SCHEMBL20106701 0.86 CA1 (0.33) LPLLIPGCA1CA2CA9
SCHEMBL3599378 0.83 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL21603503 0.80 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL153708 0.78 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL21509781 0.78 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL18332596 0.78 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL20661010 0.76 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL24576537 0.74 PDGFRB (0.43) LPLLIPGCA1CA2CA9
SCHEMBL14532177 0.73 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL16494801 0.72 ESR2 (0.35) LPLLIPGCA1CA2CA9

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
WO-2018080918-A1 3-ARYL-2H-PYRAZOLO[4,3-B]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed