SCHEMBL3659155

SCHEMBL3659155

N#Cc1ccnc(C2(NC(=O)C3(C(N)=O)CC3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 9/20 0.39
SLC22A12 Q96S37 1/20 0.33
BTD P43251 1/20 0.33
USP30 Q70CQ3 2/20 0.32
GRM4 Q14833 1/20 0.31
PANK3 Q9H999 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
SCN9A Q15858 1/20 0.30
BRAF P15056 1/20 0.30
MYC P01106 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
SCHEMBL3659156 0.85 VNN1 (0.40) VNN1SLC22A12BTDUSP30GRM4
SCHEMBL3660006 0.81
SCHEMBL3659049 0.79 LOXL2 (0.39)
SCHEMBL3659908 0.75 CHUK (0.38)
SCHEMBL3661135 0.74 ERCC1 (0.40)
SCHEMBL3720378 0.74 ALDH1A1 (0.35)
SCHEMBL3660356 0.70 P2RX7 (0.36)
SCHEMBL12259558 0.70 VNN1 (0.36) VNN1SLC22A12BTDPANK3JAK2
SCHEMBL10277612 0.69 NPC1 (0.30)
SCHEMBL3659466 0.68 ADORA2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed