SCHEMBL813758

SCHEMBL813758

CCC(CC)/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
DYRK3 O43781 2/20 0.30
CCNT1 O60563 2/20 0.30
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
CDK9 P50750 2/20 0.30
DYRK1A Q13627 2/20 0.30
DYRK2 Q92630 2/20 0.30
DYRK1B Q9Y463 2/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL814742 0.85 MAPT (0.43) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL814189 0.84 KDM4E (0.31) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL813791 0.82 NPC1 (0.36) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL12460048 0.81 RAB9A (0.35) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL814526 0.79 MAPT (0.36) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL813868 0.79 MAPT (0.40) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL813953 0.78 MEN1 (0.35) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL813930 0.77 LMNA (0.35) KDM4EALDH1A1
SCHEMBL814180 0.77 LMNA (0.32) ALDH1A1POLB
SCHEMBL814053 0.77 ALDH1A1 (0.33) KDM4EALDH1A1POLBHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1789459-B1 POLYOLEFINS INEOS SALES UK LTD (GB) 2014-04-30 EP disclosed
US-8067328-B2 Polymerisation and oligomerisation catalysts INEOS EUROPE LIMITED (GB) 2011-11-29 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed