SCHEMBL5317043

SCHEMBL5317043

CSc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.45
MKNK1 Q9BUB5 2/20 0.43
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
KDR P35968 3/20 0.43
MAPKAPK2 P49137 1/20 0.42
ROCK2 O75116 6/20 0.42
TNIK Q9UKE5 2/20 0.42
CDC7 O00311 1/20 0.41
VCP P55072 1/20 0.41
ROCK1 Q13464 1/20 0.41
SIRT7 Q9NRC8 1/20 0.41

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
SCHEMBL5333205 0.87 IMPDH2 (0.53) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL5336680 0.85 IMPDH2 (0.59) IMPDH2FLT1FLT4KDRVCP
SCHEMBL5316809 0.85 NOS1 (0.48) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL5343891 0.85 VCP (0.58) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL5333863 0.85 VCP (0.58) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL5335613 0.85 CDC7 (0.58) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL5336433 0.85 MKNK1 (0.51) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL14465941 0.85 IMPDH2 (0.61) IMPDH2FLT1FLT4KDRVCP
SCHEMBL5336169 0.84 MEN1 (0.51) IMPDH2MKNK1FLT1FLT4KDR
SCHEMBL5318416 0.84 TNIK (0.60) IMPDH2FLT1FLT4KDRROCK2

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
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