SCHEMBL6669434

SCHEMBL6669434

COc1cccc(C2=NC(c3ncc[nH]3)(c3ccccc3Cl)N=C2c2cccc(OC)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
AURKA O14965 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CLK1 P49759 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL197098 0.84 MTOR (0.39) TP53NISCH
SCHEMBL82380 0.77 DYRK1A (0.43) DYRK1ACLK4MAPTTP53GAA
SCHEMBL29660677 0.77 DYRK1A (0.43) DYRK1ACLK4MAPTTP53GAA
SCHEMBL2367696 0.72 TEK (0.39) MAPTTP53SMN1; SMN2PDE4APDE4B
SCHEMBL8861300 0.71 DYRK1A (0.42) DYRK1ACLK4MAPTSMN1; SMN2PDE4A
SCHEMBL4659789 0.70 ADORA2A (0.39) MAPTTP53GAASMN1; SMN2PDE4A
SCHEMBL2097610 0.67 DYRK1A (0.57) DYRK1ACLK4AURKACCNB2CDK1
SCHEMBL9356793 0.66 DYRK1A (0.39) DYRK1ACLK4MAPTTP53GAA
SCHEMBL8666635 0.66 DYRK1A (0.44) DYRK1ACLK4MAPTTP53SMN1; SMN2
SCHEMBL5702288 0.65 PGR (0.35) DYRK1ACLK4MAPTSMN1; SMN2PDE4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1459132-A1 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M Innovative Properties Company (US) 2004-09-22 EP disclosed
WO-2003058346-A1 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-07-17 WO disclosed
EP-1292861-A2 MULTIDIRECTIONAL PHOTOREACTIVE ABSORPTION METHOD 3M Innovative Properties Company (US) 2003-03-19 EP disclosed
EP-1292863-A2 MULTIPHOTON ABSORPTION METHOD USING PATTERNED LIGHT 3M Innovative Properties Company (US) 2003-03-19 EP disclosed
WO-2001096962-A2 MULTIPHOTON ABSORPTION METHOD USING PATTERNED LIGHT 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-20 WO disclosed
WO-2001096959-A2 MULTIDIRECTIONAL PHOTOREACTIVE ABSORPTION METHOD 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-20 WO disclosed
US-4434223-A PHOTOPOLYMERIZABLE, PRINTING PLATES TOPPAN PRINTING CO., LTD. (JP) 1984-02-28 US disclosed