SCHEMBL7084763

SCHEMBL7084763

Nc1ccc2c(c1)/C(=C(/Nc1cccc(C(=O)O)c1)c1ccccc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.48
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 5/20 0.42
AKT2 P31751 2/20 0.42
AKT1 P31749 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NR1H4 Q96RI1 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MITF O75030 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7084766 1.00 PDPK1 (0.48) PDPK1KMT2AMEN1POLBMAPT
SCHEMBL7087977 0.92 PDPK1 (0.50) PDPK1KMT2AMEN1MAPTTDP1
SCHEMBL7087980 0.92 PDPK1 (0.50) PDPK1KMT2AMEN1MAPTTDP1
SCHEMBL7086762 0.91 PDPK1 (0.45) PDPK1GSK3BAKT2AKT1
SCHEMBL7086761 0.91 PDPK1 (0.45) PDPK1GSK3BAKT2AKT1
SCHEMBL29643001 0.91 PDPK1 (0.45) PDPK1GSK3BAKT2AKT1
SCHEMBL7081841 0.90 PDPK1 (0.46) PDPK1KMT2AMEN1GSK3BAKT2
SCHEMBL7081846 0.90 PDPK1 (0.46) PDPK1KMT2AMEN1GSK3BAKT2
SCHEMBL7089467 0.89 PDPK1 (0.46) PDPK1KMT2AMEN1MAPTGSK3B
SCHEMBL7984608 0.89 PDPK1 (0.46) PDPK1KMT2AMEN1MAPTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed