SCHEMBL5317045

SCHEMBL5317045

Clc1cccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.63
PIK3CA P42336 1/20 0.54
SIRT7 Q9NRC8 1/20 0.48
IMPDH2 P12268 3/20 0.47
KDR P35968 4/20 0.46
FLT1 P17948 3/20 0.46
FLT4 P35916 2/20 0.46
DGAT1 O75907 1/20 0.45
NOS1 P29475 1/20 0.45
CDC7 O00311 1/20 0.44
ROCK2 O75116 2/20 0.44
JAK2 O60674 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKACA P17612 1/20 0.44
GSK3A P49840 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PAK1 Q13153 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL5345370 0.91 VCP (0.63) VCPPIK3CASIRT7IMPDH2KDR
SCHEMBL5343891 0.87 VCP (0.58) VCPSIRT7IMPDH2KDRFLT1
SCHEMBL14465941 0.87 IMPDH2 (0.61) VCPPIK3CAIMPDH2KDRFLT1
SCHEMBL5337614 0.87 PIK3CA (0.54) VCPPIK3CAIMPDH2KDRFLT1
SCHEMBL5340647 0.85 KDR (0.54) VCPSIRT7IMPDH2KDRFLT4
SCHEMBL5336680 0.85 IMPDH2 (0.59) VCPPIK3CAIMPDH2KDRFLT1
SCHEMBL5338142 0.84 VCP (0.65) VCPPIK3CAIMPDH2KDRFLT1
SCHEMBL5340970 0.84 FLT1 (0.61) VCPPIK3CAIMPDH2KDRFLT1
SCHEMBL5343138 0.84 TRPV1 (0.53) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5319685 0.83 IMPDH2 (0.54) VCPPIK3CAIMPDH2KDRFLT1

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