SCHEMBL589338

SCHEMBL589338

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cccc(F)c5)cc34)c(NC(=O)c3ccccn3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.54
INSR P06213 18/20 0.54
IGF1R P08069 10/20 0.54
AURKA O14965 3/20 0.50
AURKB Q96GD4 3/20 0.50
HTR6 P50406 1/20 0.50
PLK4 O00444 2/20 0.49
DAPK3 O43293 2/20 0.49
NTRK1 P04629 2/20 0.49
PRKCG P05129 2/20 0.49
ROS1 P08922 2/20 0.49
FER P16591 2/20 0.49
LTK P29376 2/20 0.49
FRK P42685 2/20 0.49
MST1R Q04912 2/20 0.49
PTK2 Q05397 2/20 0.49
TNK2 Q07912 2/20 0.49
NTRK3 Q16288 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
WEE1 P30291 1/20 0.49

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
SCHEMBL590620 0.95 ALK (0.58) ALKINSRIGF1RAURKAAURKB
SCHEMBL590062 0.94 ALK (0.54) ALKINSRIGF1RAURKAAURKB
SCHEMBL591974 0.91 ALK (0.58) ALKINSRIGF1RAURKAAURKB
SCHEMBL590076 0.88 ALK (0.56) ALKINSRIGF1RAURKAAURKB
SCHEMBL590126 0.87 IGF1R (0.62) ALKINSRIGF1RAURKAAURKB
SCHEMBL590964 0.87 ALK (0.54) ALKINSRIGF1RAURKAAURKB
SCHEMBL589685 0.87 ALK (0.54) ALKINSRIGF1RAURKAAURKB
SCHEMBL592563 0.87 ALK (0.57) ALKINSRIGF1RAURKAAURKB
SCHEMBL591336 0.87 INSR (0.55) ALKINSRIGF1RAURKAAURKB
SCHEMBL592510 0.87 ALK (0.58) ALKINSRIGF1RAURKAAURKB

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
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed