SCHEMBL20053491

SCHEMBL20053491

C1=Cc2ccc3ccncc3c2N=CN=1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
TNF P01375 1/20 0.32
MAPK10 P53779 1/20 0.31
HIPK2 Q9H2X6 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
SCHEMBL29569821 0.66 CLK1 (0.54) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL672509 0.66 CLK1 (0.54) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL20053458 0.66 CLK1 (0.34) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL20053471 0.62 CLK1 (0.34) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL19413689 0.62 KDM4E (0.38)
SCHEMBL2472934 0.61 CLK1 (0.36) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL25110 0.60 CLK1 (0.44) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL29568879 0.59 IMPDH2 (0.50) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL1419181 0.59 IMPDH2 (0.50) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL11730656 0.58 CLK1 (0.36) CLK1DYRK1ATNFMAPK10HIPK2

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-9947877-B2 Organic light emitting display device LG DISPLAY CO., LTD. (KR) 2018-04-17 US disclosed