SCHEMBL7088684

SCHEMBL7088684

N#Cc1ccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
PDPK1 O15530 3/20 0.42
PAK4 O96013 1/20 0.39
TLK2 Q86UE8 3/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
LRRK2 Q5S007 1/20 0.37
EGFR P00533 1/20 0.37
MAPT P10636 2/20 0.36
PGR P06401 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
GSK3B P49841 3/20 0.35
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7088689 1.00 KDR (0.44) KDRPDPK1PAK4TLK2F2
SCHEMBL7082903 0.90 PDPK1 (0.47) PDPK1TLK2MAPTAKT1AKT2
SCHEMBL7082906 0.90 PDPK1 (0.47) PDPK1TLK2MAPTAKT1AKT2
SCHEMBL7084876 0.90 PDPK1 (0.43) KDRPDPK1TLK2MAPTMEN1
SCHEMBL7084871 0.90 PDPK1 (0.43) KDRPDPK1TLK2MAPTMEN1
SCHEMBL7086761 0.89 PDPK1 (0.45) KDRPDPK1TLK2AKT1AKT2
SCHEMBL29643001 0.89 PDPK1 (0.45) KDRPDPK1TLK2AKT1AKT2
SCHEMBL7086762 0.89 PDPK1 (0.45) KDRPDPK1TLK2AKT1AKT2
SCHEMBL7492390 0.88 KDR (0.43) KDRPDPK1PAK4TLK2F2
SCHEMBL7082441 0.87 PDPK1 (0.45) PDPK1TLK2MAPTAKT1AKT2

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