SCHEMBL8320766

SCHEMBL8320766

COc1ccc(Cc2[nH]c3ccccc3c2C2=C(c3c(C)[nH]c4ccccc34)C(=O)NC2=O)c(OC)c1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.43
KDR P35968 5/20 0.39
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
GSK3B P49841 3/20 0.36
FLT3 P36888 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
NUAK1 O60285 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL8320632 0.94 CAMK2D (0.44) CAMK2DKDRPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8315530 0.83 CAMK2D (0.43) CAMK2DKDRPRKCBPRKCAPRKCH
SCHEMBL8316483 0.77 CAMK2D (0.51) CAMK2DPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL8319189 0.75 PRKCB (0.49) CAMK2DPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL8316034 0.74 CAMK2D (0.45) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317050 0.74 CAMK2D (0.45) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317078 0.74 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317298 0.74 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL1155976 0.73 KDR (0.63) KDRGSK3BFLT3PLK4AURKA
Hydrochloric Acid SCHEMBL8318720 0.73 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE

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-0925296-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1999-06-30 EP disclosed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO disclosed