SCHEMBL29952518

SCHEMBL29952518

O=Cc1cnc2[nH]cc(-c3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 6/20 0.70
▸ CDK8 P49336 1/20 0.66
▸ TNIK Q9UKE5 1/20 0.66
▸ JAK2 O60674 2/20 0.62
▸ PLK4 O00444 2/20 0.62
▸ AURKA O14965 2/20 0.62
▸ ROCK2 O75116 2/20 0.62
▸ PRKD3 O94806 2/20 0.62
▸ INSR P06213 2/20 0.62
▸ CDK1 P06493 2/20 0.62
▸ FES P07332 2/20 0.62
▸ ROS1 P08922 2/20 0.62
▸ FGFR1 P11362 2/20 0.62
▸ PHKG2 P15735 2/20 0.62
▸ FER P16591 2/20 0.62
▸ FLT1 P17948 2/20 0.62
▸ CDK2 P24941 2/20 0.62
▸ MARK3 P27448 2/20 0.62
▸ FLT4 P35916 2/20 0.62
▸ KDR P35968 2/20 0.62

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
SCHEMBL8941968 0.86 AXL (0.79) AXLCDK8TNIKDYRK1ASGK1
SCHEMBL13356904 0.81 CDK8 (0.63) AXLCDK8TNIKJAK2PLK4
SCHEMBL13356751 0.80 AXL (0.51) AXLCDK8TNIKJAK2PLK4
SCHEMBL8941685 0.80 AXL (1.00) AXLCDK8TNIKJAK2PLK4
SCHEMBL25785930 0.77 AXL (0.71) AXLCDK8TNIKJAK2PLK4
SCHEMBL19068216 0.77 NTRK1 (0.72) AXLCDK8TNIKJAK2PLK4
SCHEMBL8941748 0.77 JAK2 (1.00) AXLCDK8TNIKJAK2PLK4
SCHEMBL1516750 0.77 JAK2 (1.00) AXLCDK8TNIKJAK2PLK4
SCHEMBL17939499 0.77 AXL (0.76) AXLCDK8TNIKDYRK1ANTRK1
SCHEMBL30368724 0.77 AXL (0.76) AXLCDK8TNIKDYRK1ANTRK1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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