SCHEMBL16349129

SCHEMBL16349129

c1ccc(-c2cnc(Nc3ccc(CN4CCNCC4)cc3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
FLT1 P17948 7/20 0.58
FLT4 P35916 7/20 0.58
VCP P55072 3/20 0.55
SIGMAR1 Q99720 1/20 0.49
JAK2 O60674 1/20 0.48
SYK P43405 1/20 0.48
ROCK1 Q13464 1/20 0.47
IMPDH2 P12268 3/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 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
SCHEMBL5186215 0.87 KDR (0.59) KDRFLT1FLT4VCPJAK2
SCHEMBL5469332 0.86 FLT1 (0.58) KDRFLT1FLT4VCPROCK1
SCHEMBL16349084 0.85 VCP (0.62) KDRFLT1FLT4VCPJAK2
SCHEMBL16349169 0.82 VCP (0.62) KDRFLT1FLT4VCPSIGMAR1
SCHEMBL27965095 0.77 SIGMAR1 (0.71) SIGMAR1JAK2SYK
SCHEMBL11552590 0.76 NOTUM (0.53) SIGMAR1CCNCCDK8
Gw549390X SCHEMBL3295009 0.75 KDR (1.00) KDRFLT1FLT4VCPROCK1
SCHEMBL5465177 0.75 VCP (0.66) KDRFLT1FLT4VCPSIGMAR1
SCHEMBL5185601 0.74 KDR (0.68) KDRFLT1FLT4VCPROCK1
SCHEMBL5465342 0.74 VCP (0.64) KDRFLT1FLT4VCPSYK

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
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed