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Sugi Predict / Compounds / SCHEMBL13613349

SCHEMBL13613349

SCHEMBL13613349

N/C=C/c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.35
▸ GSK3B P49841 1/20 0.32
▸ HDAC1 Q13547 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ KDR P35968 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
SCHEMBL3201832 0.88 GSK3B (0.43) KIF11GSK3BHDAC1PDGFRBKDR
SCHEMBL3204812 0.88 GSK3B (0.43) KIF11GSK3BHDAC1PDGFRBKDR
SCHEMBL3201820 0.88 GSK3B (0.43) KIF11GSK3BHDAC1PDGFRBKDR
SCHEMBL3205455 0.87 SIRT2 (0.39) KIF11HDAC1KDR
SCHEMBL3205467 0.87 SIRT2 (0.39) KIF11HDAC1KDR
SCHEMBL3206697 0.86 KIF11 (0.44) KIF11GSK3BPDGFRBKDR
SCHEMBL3209331 0.85 GSK3B (0.37) KIF11GSK3BHDAC1PDGFRBKDR
SCHEMBL3205951 0.85 USP20 (0.35) KIF11GSK3B
SCHEMBL3205959 0.85 USP20 (0.35) KIF11GSK3B
SCHEMBL3206866 0.84 MAOB (0.34) KIF11GSK3B

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