SCHEMBL7086160

SCHEMBL7086160

CS(=O)(=O)N(CC#N)c1ccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.36
BRD4 O60885 5/20 0.35
BRD2 P25440 2/20 0.35
RET P07949 1/20 0.35
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
TLK2 Q86UE8 1/20 0.33
RORC P51449 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
CYP3A4 P08684 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7086163 1.00 PDPK1 (0.36) PDPK1BRD4BRD2RETKMT2A
SCHEMBL6321896 0.89 IDO1 (0.39) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL6321900 0.89 IDO1 (0.39) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL7087687 0.87 PDPK1 (0.36) PDPK1BRD4BRD2RETKMT2A
SCHEMBL7087692 0.87 PDPK1 (0.36) PDPK1BRD4BRD2RETKMT2A
SCHEMBL7088133 0.86 KMT2A (0.43) PDPK1BRD4BRD2RETKMT2A
SCHEMBL7088131 0.86 KMT2A (0.43) PDPK1BRD4BRD2RETKMT2A
SCHEMBL3152788 0.86 RXFP1 (0.40) KMT2AMEN1CYP3A4NPSR1MAPT
SCHEMBL3152796 0.86 RXFP1 (0.40) KMT2AMEN1CYP3A4NPSR1MAPT
SCHEMBL7084845 0.85 PDPK1 (0.39) PDPK1BRD4BRD2RETKMT2A

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