SCHEMBL7848271

SCHEMBL7848271

Nc1ccc(Cc2ccc(NC(=C3C(=O)Nc4ccc(N)cc43)c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.43
TGM2 P21980 1/20 0.36
AKT2 P31751 4/20 0.36
AKT1 P31749 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
GSK3B P49841 3/20 0.36
TLK2 Q86UE8 3/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 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
JAK3 P52333 1/20 0.35
PRMT1 Q99873 1/20 0.34

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
SCHEMBL7848267 1.00 PDPK1 (0.43) PDPK1TGM2AKT2AKT1BRD4
SCHEMBL7082903 0.93 PDPK1 (0.47) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7082906 0.93 PDPK1 (0.47) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7087857 0.91 PDPK1 (0.45) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7087861 0.91 PDPK1 (0.45) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7086953 0.90 PDPK1 (0.42) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7086954 0.90 PDPK1 (0.42) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7087806 0.90 PDPK1 (0.42) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7087804 0.90 PDPK1 (0.42) PDPK1AKT2AKT1BRD4BRD2
SCHEMBL7086761 0.90 PDPK1 (0.45) PDPK1AKT2AKT1BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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