SCHEMBL13613313

SCHEMBL13613313

N#CC(C(N)=O)c1ccc(NO)cc1N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3193799 0.78 ALDH1A1 (0.39) KDRTDP1
SCHEMBL3214515 0.78 KEAP1 (0.39) TDP1
SCHEMBL3214507 0.75 KDM4E (0.51)
SCHEMBL3206362 0.75 ALDH1A1 (0.46)
SCHEMBL12651209 0.74 CYP2C19 (0.36) TDP1
SCHEMBL3203132 0.74 TDP1 (0.48) TDP1
SCHEMBL2926444 0.68 PSEN1 (0.36)
SCHEMBL18172056 0.68 S1PR3 (0.43)
SCHEMBL18172071 0.66 PDE2A (0.49) KDR
SCHEMBL2924123 0.65 EEF2K (0.38) KDR

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
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed