SCHEMBL2714940

SCHEMBL2714940

Cc1ccc(-c2ccc([CH]C(N)=O)nc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
PTGS2 P35354 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDE10A Q9Y233 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
HPGDS O60760 1/20 0.38
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL5666359 0.78 RAB9A (0.44) ADRA2AADRA2BADRA2CHDAC6HSD17B10
SCHEMBL2760655 0.74 ADRA2A (0.44) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL676678 0.74 HPGDS (0.56) ADRA2AADRA2BADRA2CPTGS2HDAC1
SCHEMBL17051516 0.72 HPGDS (0.54) ADRA2AADRA2BADRA2CPTGS2HDAC1
SCHEMBL2714933 0.71 GABRA1 (0.42) CYP11B2ADRA2AADRA2BADRA2CPTGS2
SCHEMBL13505314 0.71 ALDH1A1 (0.47) ADRA2AADRA2BADRA2CATMTSHR
SCHEMBL3346810 0.70 MKNK1 (0.52) CYP11B2PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL28051973 0.70 GSK3B (0.52) CYP11B2PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL1138580 0.69 HSD17B1 (0.53) HDAC1HDAC6MKNK1MKNK2IDO1
SCHEMBL29788311 0.69 MKNK1 (0.58) HDAC1HDAC6MKNK1MKNK2HSD17B10

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