SCHEMBL2835812

SCHEMBL2835812

O=C(O)C=CCN1CCSCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.38
TSHR P16473 3/20 0.37
GABRR1 P24046 2/20 0.37
GABRR2 P28476 2/20 0.37
BLM P54132 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.35
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL2835811 1.00 INMT (0.38) INMTTSHRGABRR1GABRR2BLM
SCHEMBL2840340 0.89 INMT (0.36) INMTTSHRGABRR1GABRR2BLM
SCHEMBL2840343 0.89 INMT (0.36) INMTTSHRGABRR1GABRR2BLM
SCHEMBL20711888 0.82 EGFR (0.32) KDM4EEGFRERBB2ALDH1A1
SCHEMBL21625325 0.82 GAA (0.33) LMNAKDM4EEGFRERBB2GAA
SCHEMBL10954953 0.81 BLM (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2977137 0.81 BLM (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2977139 0.81 BLM (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16901712 0.81 BLM (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20711674 0.79 GAA (0.34) KDM4EEGFRERBB2GAA

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 10 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
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed