SCHEMBL3835801

SCHEMBL3835801

CCCOc1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
AURKA O14965 3/20 0.33
KDR P35968 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
QPCT Q16769 4/20 0.31
THRA P10827 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
SCHEMBL3837257 0.80 PDE3B (0.43) ALDH1A1AURKAKDRGAA
SCHEMBL3839735 0.80
SCHEMBL3836082 0.79 DUT (0.36) AURKAKDR
SCHEMBL3837163 0.78 KDR (0.35) KDR
SCHEMBL3836059 0.77 AURKA (0.54) ELANEAURKAKDR
SCHEMBL3835796 0.77 MAP3K9 (0.38) AURKAKDR
SCHEMBL3839919 0.74 GCK (0.34)
SCHEMBL3840665 0.71 KDR (0.60) MAPTALDH1A1AURKAKDR
SCHEMBL3837174 0.71 KDR (0.34) KDR
SCHEMBL3839674 0.71 PDE4B (0.33) MAPTALDH1A1KDR

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