SCHEMBL3839331

SCHEMBL3839331

COCc1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.32
AURKA O14965 3/20 0.31

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
SCHEMBL3837174 0.85 KDR (0.34) KDR
SCHEMBL3837161 0.84 KDR (0.39) KDR
SCHEMBL3837163 0.83 KDR (0.35) KDR
SCHEMBL3836776 0.80 AURKA (0.34) KDRAURKA
SCHEMBL3835406 0.79 PARP1 (0.45)
SCHEMBL3836958 0.77 PARP1 (0.36)
SCHEMBL3839251 0.77 PARP1 (0.33)
SCHEMBL3837257 0.76 PDE3B (0.43) KDRAURKA
SCHEMBL3836956 0.75 SLC2A1 (0.35)
SCHEMBL3835742 0.74 AURKA (0.37) KDRAURKA

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed