SCHEMBL5339461

SCHEMBL5339461

O=C1COc2ccc(Nc3ncc(-c4ccccc4)o3)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.52
FLT1 P17948 8/20 0.52
FLT4 P35916 8/20 0.52
VCP P55072 1/20 0.50
KMT2A Q03164 1/20 0.49
IMPDH2 P12268 2/20 0.49
ROCK1 Q13464 1/20 0.48
PARP1 P09874 2/20 0.47
SYK P43405 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5318196 0.91 KDR (0.52) KDRFLT1FLT4VCPIMPDH2
SCHEMBL5319534 0.89 VCP (0.52) VCPKMT2APARP1SYKALDH1A1
SCHEMBL5342093 0.82 ACLY (0.46) KDRFLT1FLT4VCPIMPDH2
SCHEMBL5316750 0.81 KIF11 (0.48) ROCK1SYK
SCHEMBL5316958 0.81 VCP (0.52) KDRFLT1FLT4VCPIMPDH2
SCHEMBL5318114 0.80 KDR (0.54) KDRFLT1FLT4VCPIMPDH2
SCHEMBL5341998 0.79 PKM (0.47) KDRFLT1ROCK1SYK
SCHEMBL14465950 0.76 KIF11 (0.48) KDRKMT2AIMPDH2ROCK1SYK
SCHEMBL5334965 0.76 VCP (0.57) KDRFLT1FLT4VCPROCK1
SCHEMBL5338297 0.75 SYK (0.54) KDRFLT1FLT4VCPKMT2A

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 1 patent. 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 disclosed