SCHEMBL14620854

SCHEMBL14620854

COc1cc(O)cc(C(=O)c2c[nH]c3ncc(Nc4ccccc4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.50
▸ AXL P30530 4/20 0.48
▸ DYRK1A Q13627 4/20 0.48
▸ MELK Q14680 3/20 0.48
▸ DYRK3 O43781 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ PRKD3 O94806 2/20 0.48
▸ MAP4K4 O95819 2/20 0.48
▸ NTRK1 P04629 2/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ MARK3 P27448 2/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ SYK P43405 2/20 0.48
▸ CSNK1D P48730 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ BLK P51451 2/20 0.48
▸ IRAK1 P51617 2/20 0.48

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
SCHEMBL878951 0.94 AAK1 (0.53) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL878851 0.88 DYRK1A (0.59) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL878852 0.86 TUBB1 (0.54) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL878871 0.83 TUBB1 (0.46) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL414672 0.83 MAPK13 (0.51) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL878838 0.81 FGFR4 (0.49) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL415002 0.79 AXL (0.69) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL878737 0.78 AAK1 (0.54) AAK1AXLDYRK1AMELKDYRK3
SCHEMBL7991246 0.78 FGFR4 (0.55) DYRK1ANTRK1GSK3AGSK3BLCK
SCHEMBL878764 0.77 DYRK1A (0.48) AAK1AXLDYRK1AMELKDYRK3

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-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
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