SCHEMBL6939199

SCHEMBL6939199

COc1cccc(C2=NC(c3ccc(C)c(F)c3F)(C3(c4ccc(C)c(F)c4F)N=C(c4cccc(OC)c4)C(c4cccc(OC)c4)=N3)N=C2c2cccc(OC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
BACE1 P56817 2/20 0.39
KCNH2 Q12809 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
NPY5R Q15761 1/20 0.37
XDH P47989 1/20 0.36
WDR5 P61964 1/20 0.36
NOTUM Q6P988 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 2/20 0.36
ACHE P22303 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL6935907 0.88 ADORA2A (0.43) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL29888758 0.88 ADORA2A (0.43) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL6935532 0.83 DYRK1A (0.41) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL29897699 0.83 DYRK1A (0.41) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL8666635 0.81 DYRK1A (0.44) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL30040209 0.80 DYRK1A (0.46) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL6940381 0.80 DYRK1A (0.46) DYRK1ACLK4BACE1KCNH2ADORA2A
SCHEMBL6937716 0.80 BACE1 (0.45) DYRK1ACLK4BACE1NPY5RNCOA1
SCHEMBL29450716 0.80 BACE1 (0.45) DYRK1ACLK4BACE1NPY5RNCOA1
SCHEMBL6941655 0.80 DYRK1A (0.43) DYRK1ACLK4BACE1KCNH2ADORA2A

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-6524770-B1 For polyimide precursor curable under patternwise low radiation; heat and chemical resistance; polyamide having unsaturated ester pendant groups cures HITACHI CHEMICAL CO., LTD. (JP) 2003-02-25 US disclosed