SCHEMBL2729210

SCHEMBL2729210

Cn1cc(-c2ccc(C3(NC(=O)[C@@H](N)Cc4cncn4C)CC3)nc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 14/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
WNT1 P04628 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL2729213 1.00 EP300 (0.36) EP300MKNK1MKNK2GSK3BDYRK1A
SCHEMBL2727633 0.86 STING1 (0.35) EP300MKNK1MKNK2GSK3BDYRK1A
SCHEMBL2727628 0.86 STING1 (0.35) EP300MKNK1MKNK2GSK3BDYRK1A
SCHEMBL2730245 0.85 EP300 (0.40) EP300GPR55
SCHEMBL2730243 0.85 EP300 (0.40) EP300GPR55
SCHEMBL2726258 0.81 GPR55 (0.42) EP300GSK3BDYRK1AGPR55WNT1
SCHEMBL2729680 0.81 GPR55 (0.42) EP300GSK3BDYRK1AGPR55WNT1
SCHEMBL2726267 0.81 GPR55 (0.42) EP300GSK3BDYRK1AGPR55WNT1
SCHEMBL2730077 0.80 GPR55 (0.41) EP300GSK3BDYRK1AGPR55WNT1
SCHEMBL2728368 0.71 MAPK1 (0.41) EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
EP-2445909-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
WO-2010141273-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO disclosed