SCHEMBL7087861

SCHEMBL7087861

NCc1ccc(NC(=C2C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.45
AKT2 P31751 4/20 0.42
KLKB1 P03952 1/20 0.40
BRD4 O60885 2/20 0.36
AKT1 P31749 1/20 0.36
BRD2 P25440 1/20 0.36
GSK3B P49841 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP3A4 P08684 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
TLK2 Q86UE8 2/20 0.35
JAK3 P52333 1/20 0.35
PLG P00747 1/20 0.35
KLK1 P06870 1/20 0.35
KLK6 Q92876 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
SCHEMBL7087857 1.00 PDPK1 (0.45) PDPK1AKT2KLKB1BRD4AKT1
SCHEMBL7086954 0.93 PDPK1 (0.42) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7086953 0.93 PDPK1 (0.42) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7848267 0.91 PDPK1 (0.43) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7848271 0.91 PDPK1 (0.43) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7082903 0.91 PDPK1 (0.47) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7082906 0.91 PDPK1 (0.47) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7087804 0.90 PDPK1 (0.42) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL7087806 0.90 PDPK1 (0.42) PDPK1AKT2BRD4AKT1BRD2
SCHEMBL29643001 0.90 PDPK1 (0.45) PDPK1AKT2BRD4AKT1BRD2

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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP claimed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US claimed
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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US 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