SCHEMBL3157673

SCHEMBL3157673

CCC/C(OC)=C1/C(=O)Nc2cc(C(N)=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHEK1 O14757 2/20 0.37
ROCK2 O75116 1/20 0.36
CSF1R P07333 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
ROCK1 Q13464 1/20 0.36
SLK Q9H2G2 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPK14 Q16539 1/20 0.36
PDPK1 O15530 1/20 0.36

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
SCHEMBL3157684 1.00 IDO1 (0.38) IDO1TDO2KDM4EALDH1A1HPGD
SCHEMBL3156400 0.90 IDO1 (0.42) IDO1TDO2MAPK1TDP1CHEK1
SCHEMBL3156413 0.90 IDO1 (0.42) IDO1TDO2MAPK1TDP1CHEK1
SCHEMBL3153242 0.80 TDP1 (0.41) IDO1TDO2TDP1CHEK1ROCK2
SCHEMBL3153235 0.80 TDP1 (0.41) IDO1TDO2TDP1CHEK1ROCK2
SCHEMBL3160881 0.80 CASP1 (0.46) KDM4EALDH1A1HPGDMAPK1TDP1
SCHEMBL3160863 0.80 CASP1 (0.46) KDM4EALDH1A1HPGDMAPK1TDP1
SCHEMBL7237104 0.77 RET (0.43) IDO1TDO2ALDH1A1CHEK1FLT3
SCHEMBL7237109 0.77 RET (0.43) IDO1TDO2ALDH1A1CHEK1FLT3
SCHEMBL3148751 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMAPK1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed