SCHEMBL3836068

SCHEMBL3836068

Nc1cccc(-c2ccc(-c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 1/20 0.48
MAP3K11 Q16584 1/20 0.48
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
KDR P35968 5/20 0.44
WEE1 P30291 1/20 0.44
TDP2 O95551 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
MAOA P21397 1/20 0.42
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE4B Q07343 1/20 0.39
TYRO3 Q06418 1/20 0.39
NTRK2 Q16620 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL3835838 0.85 TDP2 (0.42) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL3043388 0.81 KDR (0.54) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL12469163 0.80 KDR (0.40) MAP3K9MAP3K11KDRTDP2MAOA
SCHEMBL3039949 0.75 MAP3K9 (0.50) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL3049982 0.74 KDR (0.54) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL3840842 0.73 KDR (0.71) KDRNTRK2CLK4
SCHEMBL30331758 0.72 PARP10 (0.69) KDRPARP10PARP11TYRO3NTRK2
SCHEMBL18171019 0.71 MAP3K9 (0.47) MAP3K9MAP3K11CLK1CLK2CLK3
SCHEMBL28204088 0.71 MAOA (0.61) MAOAALDH1A1MAPTBRD4
SCHEMBL7771393 0.71 MAOA (0.61) MAOAALDH1A1MAPTBRD4

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