SCHEMBL5319980

SCHEMBL5319980

c1ccc(-c2cnc(Nc3ccc4cc[nH]c4c3)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 6/20 0.61
KDR P35968 11/20 0.59
FLT1 P17948 9/20 0.59
FLT4 P35916 9/20 0.59
VCP P55072 2/20 0.56
ROCK1 Q13464 1/20 0.48

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
SCHEMBL5318136 0.90 IMPDH2 (0.61) IMPDH2KDRFLT1FLT4VCP
SCHEMBL5338645 0.88 VCP (0.58) IMPDH2KDRFLT1FLT4VCP
SCHEMBL14465936 0.82 IMPDH2 (0.61) IMPDH2KDRFLT1FLT4VCP
SCHEMBL5350514 0.81 FLT1 (0.59) IMPDH2KDRFLT1FLT4VCP
SCHEMBL5338652 0.78 VCP (0.58) IMPDH2KDRFLT1FLT4VCP
SCHEMBL14465941 0.78 IMPDH2 (0.61) IMPDH2KDRFLT1FLT4VCP
SCHEMBL14466076 0.78 KDR (0.59) IMPDH2KDRFLT1FLT4VCP
SCHEMBL5340017 0.78 IMPDH2 (0.60) IMPDH2KDRFLT1FLT4VCP
Gw549390X SCHEMBL3295009 0.76 KDR (1.00) IMPDH2KDRFLT1FLT4VCP
SCHEMBL5336680 0.76 IMPDH2 (0.59) IMPDH2KDRFLT1FLT4VCP

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