SCHEMBL3836082

SCHEMBL3836082

CC(C)(C)[Si](C)(C)OCCCOc1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
AURKA O14965 1/20 0.31
KDR P35968 1/20 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
SCHEMBL3835801 0.79 ELANE (0.37) AURKAKDR
SCHEMBL3047993 0.77 DUT (0.34) DUT
SCHEMBL3039536 0.75 DUT (0.34) DUT
SCHEMBL5326703 0.70 PREP (0.37) AURKAKDR
SCHEMBL3835796 0.68 MAP3K9 (0.38) AURKAKDR
SCHEMBL9934160 0.67 ALDH1A1 (0.37) DUT
SCHEMBL20568979 0.66 APP (0.41) DUT
SCHEMBL3836782 0.66 AURKA (0.31) AURKAKDR
SCHEMBL3839735 0.66
SCHEMBL3839919 0.66 GCK (0.34)

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