SCHEMBL442677

SCHEMBL442677

O=C1NCNC(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
PARP1 P09874 5/20 0.52
PARP10 Q53GL7 4/20 0.52
PARP11 Q9NR21 4/20 0.52
PDPK1 O15530 1/20 0.52
CASP3 P42574 2/20 0.48
CASP7 P55210 2/20 0.48
CASP6 P55212 2/20 0.48
CASP8 Q14790 2/20 0.48
CASP2 P42575 1/20 0.48
DYRK1B Q9Y463 3/20 0.43
LRRK2 Q5S007 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PIM1 P11309 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK5 Q00535 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL106149 0.85 LRRK2 (0.50) GSK3BCA12CA9PARP1PARP10
SCHEMBL29380714 0.85 LRRK2 (0.50) GSK3BCA12CA9PARP1PARP10
SCHEMBL4455970 0.77 PARP1 (0.57) GSK3BCA12CA9PARP1PARP10
SCHEMBL4567595 0.77 CA12 (0.61) GSK3BCA12CA9PARP1PARP10
Phthalimide SCHEMBL14763935 0.77 GSK3B (0.94) GSK3BCA9PARP1CASP3CASP7
Phthalimide SCHEMBL27772865 0.76 GSK3B (0.79) GSK3BCA12CA9PARP1CASP3
SCHEMBL2127320 0.75 CYP1A2 (0.58) GSK3BCA12CA9MEN1KMT2A
Phthalimide SCHEMBL14764095 0.74 GSK3B (0.88) GSK3BPARP1CASP3CASP7CASP6
Phthalimide SCHEMBL29664386 0.74 GSK3B (0.88) GSK3BCA12CA9PARP1CASP3
Phthalimide SCHEMBL28619195 0.74 GSK3B (0.88) GSK3BCA12CA9PARP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120062228-A1 PREPARATION OF POLYAMIDE BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-8063169-B2 Preparation of polyamide block copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-7635747-B2 Using mixtures or adducts of N-heterocyclic carbenes with metal amides or metal alkoxides as catalysts; the catalysts are stable at polymerization temperatures, and the polymerization is rapid, resulting in high monomer conversion, high molecular weight E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-22 US disclosed
US-7514499-B2 Ring opening polymerization of cyclic amides using N-heterocyclic carbene catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-07 US disclosed
US-20070293629-A1 PREPARATION OF POLAMIDE BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed