SCHEMBL6986769

SCHEMBL6986769

CCCNC(=O)c1ccc2c(c1)/C(=C(/Nc1cccc(CN(C)C)c1)c1ccccc1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AKT2 P31751 2/20 0.40
PDPK1 O15530 1/20 0.40
PDK1 Q15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.40
GRK5 P34947 1/20 0.39
ROCK2 O75116 5/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ABL1 P00519 1/20 0.37
PARP1 P09874 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
PAK4 O96013 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6986773 1.00 LMNA (0.42) LMNATMEM97SIGMAR1AKT2PDPK1
SCHEMBL6985636 0.91 ROCK2 (0.42) TMEM97SIGMAR1AKT2PDPK1PDK1
SCHEMBL6985634 0.91 ROCK2 (0.42) TMEM97SIGMAR1AKT2PDPK1PDK1
SCHEMBL6978475 0.90 MEN1 (0.40) BCHEROCK2SMN1; SMN2PAK4CYP3A4
SCHEMBL6978482 0.90 MEN1 (0.40) BCHEROCK2SMN1; SMN2PAK4CYP3A4
SCHEMBL6979734 0.88 L3MBTL1 (0.45) LMNAPDPK1L3MBTL1GRK5PAX8
SCHEMBL6979739 0.88 L3MBTL1 (0.45) LMNAPDPK1L3MBTL1GRK5PAX8
SCHEMBL6980866 0.87 SIGMAR1 (0.45) TMEM97SIGMAR1BCHEGRK5
SCHEMBL6980870 0.87 SIGMAR1 (0.45) TMEM97SIGMAR1BCHEGRK5
SCHEMBL6971260 0.87 JAK3 (0.41) PDPK1BCHEROCK2SMN1; SMN2

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