SCHEMBL4247247

SCHEMBL4247247

CCCCCc1cccc(C#N)c1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.42
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21883584 0.98 BID (0.44) TLR8BIDMCL1BCL2L1BAK1
SCHEMBL9686928 0.95 TLR8 (0.41) TLR8BIDMCL1BCL2L1BAK1
SCHEMBL6457244 0.88 AR (0.39) TLR8TSHRHSD17B10
SCHEMBL978626 0.82 LIPG (0.50) BIDMCL1BCL2L1BAK1LIPG
SCHEMBL728554 0.82 LIPG (0.52) TLR8BIDMCL1BCL2L1BAK1
SCHEMBL8958884 0.81 LIPG (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3629719 0.81 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3164765 0.81 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6680392 0.81 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6956286 0.81 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
EP-1603568-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2009-02-25 EP disclosed
EP-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1722797-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-03-19 EP disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
EP-1722797-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
EP-1603568-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2005-12-14 EP disclosed
WO-2005082368-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO disclosed
WO-2004078712-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed
CN-1041198-C Method for synthesizing 5-[1-hydroxy-2-(isopropylamino)ethyl] aminobenzonitrile UNIV BEIJING AGRICULT (CN) 1998-12-16 CN disclosed
EP-0245053-B1 HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS ICI AMERICAS INC. (US) 1992-11-25 EP disclosed
US-5118688-A TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS ICI AMERICAS INC. (US) 1992-06-02 US disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 US disclosed
EP-0245053-A1 Heterocyclic fused tricyclic compounds ICI AMERICAS INC. (US) 1987-11-11 EP disclosed