SCHEMBL7087692

SCHEMBL7087692

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.36
BRD4 O60885 5/20 0.36
BRD2 P25440 2/20 0.36
RET P07949 1/20 0.36
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
TLK2 Q86UE8 1/20 0.33
AKT2 P31751 3/20 0.33
PDK1 Q15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKT1 P31749 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7087687 1.00 PDPK1 (0.36) PDPK1BRD4BRD2RETKMT2A
SCHEMBL436205 0.89 KMT2A (0.35) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL436206 0.89 KMT2A (0.35) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL1116369 0.87 LMNA (0.40) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL8192953 0.87 HTT (0.38) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL1116366 0.87 LMNA (0.40) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL8192950 0.87 HTT (0.38) BRD4BRD2KMT2ATSHRMEN1
SCHEMBL7084842 0.87 PDPK1 (0.39) PDPK1BRD4BRD2RETKMT2A
SCHEMBL7084845 0.87 PDPK1 (0.39) PDPK1BRD4BRD2RETKMT2A
SCHEMBL7086160 0.87 PDPK1 (0.36) 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 4 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
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