SCHEMBL2840343

SCHEMBL2840343

O=C(O)C=CCN1CCSC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INMT O95050 3/20 0.36
GABRR1 P24046 2/20 0.34
GABRR2 P28476 2/20 0.34
BLM P54132 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL2840340 1.00 INMT (0.36) INMTGABRR1GABRR2BLMGABRR3
SCHEMBL2835812 0.89 INMT (0.38) INMTGABRR1GABRR2BLMGABRR3
SCHEMBL2835811 0.89 INMT (0.38) INMTGABRR1GABRR2BLMGABRR3
SCHEMBL22777432 0.77 MAPT (0.41) NPSR1KDM4EDPP7
SCHEMBL22777429 0.77 MAPT (0.41) NPSR1KDM4EDPP7
SCHEMBL2977137 0.74 BLM (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL16901712 0.74 BLM (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL10954953 0.74 BLM (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2977139 0.74 BLM (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2972245 0.72 CYP1A2 (0.41) GABRR1GABRR2BLMGABRR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP claimed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP disclosed