SCHEMBL16404646

SCHEMBL16404646

Cc1ccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.81
DYRK1A Q13627 11/20 0.81
CLK1 P49759 10/20 0.81
DYRK1B Q9Y463 9/20 0.81
CLK2 P49760 8/20 0.81
KDM4E B2RXH2 3/20 0.62
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.62
CLK3 P49761 3/20 0.56
CDK2 P24941 2/20 0.56
SYK P43405 1/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHB4 P54760 1/20 0.53
CDK4 P11802 1/20 0.53
GAA P10253 1/20 0.50

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
SCHEMBL3753237 0.83 CLK1 (0.66) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL3753054 0.83 CLK1 (0.66) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL3751635 0.82 CLK4 (0.71) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL6981394 0.81 CLK1 (0.69) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL3753229 0.80 CLK1 (0.69) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL14423371 0.78 KDM4E (0.55) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL14254224 0.78 CLK1 (0.72) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL15533939 0.78 CLK1 (1.00) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL14423352 0.77 DYRK1A (0.50) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL14021573 0.77 HTT (0.56) CLK4DYRK1ACLK1DYRK1BCLK2

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
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed