SCHEMBL3840001

SCHEMBL3840001

O=C1NCc2cc(Br)cc(I)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.36
PARP11 Q9NR21 1/20 0.36
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
AURKA O14965 3/20 0.34
KDR P35968 3/20 0.33
TDP2 O95551 3/20 0.33
PARP1 P09874 3/20 0.33
NTRK2 Q16620 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
TYRO3 Q06418 1/20 0.32
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 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
SCHEMBL3835512 0.81 KDR (0.41) PARP10CA12CA9AURKAKDR
SCHEMBL2026201 0.79 PIK3CD (0.41) PARP10PARP11KMT2ACA12CA9
SCHEMBL12951697 0.79 KDR (0.37) PARP10PARP11KMT2ACA12CA9
SCHEMBL1476404 0.79 MKNK2 (0.41) PARP10PARP11KMT2ACA12CA9
SCHEMBL3835742 0.79 AURKA (0.37) KMT2ACA12CA9AURKAKDR
SCHEMBL3837295 0.79 AURKA (0.37) CA12CA9AURKAKDRTDP2
SCHEMBL3836901 0.79 GRM5 (0.37) PARP10CA12CA9AURKAKDR
SCHEMBL31158957 0.79 GRM5 (0.37) PARP10CA12CA9AURKAKDR
SCHEMBL3840782 0.77 AURKA (0.32) CA12CA9AURKAKDRTDP2
SCHEMBL3837257 0.75 PDE3B (0.43) AURKAKDRMAP3K9MAP3K11

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