SCHEMBL5318196

SCHEMBL5318196

O=C1COc2cc(Nc3ncc(-c4ccccc4)o3)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.52
FLT1 P17948 9/20 0.52
FLT4 P35916 9/20 0.52
ROCK1 Q13464 1/20 0.51
KIF11 P52732 1/20 0.50
VCP P55072 1/20 0.50
IMPDH2 P12268 4/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NSD2 O96028 1/20 0.47
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45

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
SCHEMBL5339461 0.91 KDR (0.52) KDRFLT1FLT4ROCK1VCP
SCHEMBL5316750 0.89 KIF11 (0.48) ROCK1KIF11CYP11B1CYP11B2GABRG2
SCHEMBL5316958 0.89 VCP (0.52) KDRFLT1FLT4ROCK1KIF11
SCHEMBL5341998 0.85 PKM (0.47) KDRFLT1ROCK1KIF11CYP11B1
SCHEMBL14465950 0.84 KIF11 (0.48) KDRROCK1KIF11IMPDH2CYP11B1
SCHEMBL5334965 0.84 VCP (0.57) KDRFLT1FLT4ROCK1KIF11
SCHEMBL5338297 0.83 SYK (0.54) KDRFLT1FLT4KIF11VCP
SCHEMBL5318114 0.82 KDR (0.54) KDRFLT1FLT4ROCK1KIF11
SCHEMBL5342093 0.82 ACLY (0.46) KDRFLT1FLT4ROCK1VCP
SCHEMBL5319534 0.81 VCP (0.52) VCP

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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed