SCHEMBL3680877

SCHEMBL3680877

CN1CCN(C(=O)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c([N+](=O)[O-])c2)CC1.O=C(O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.61
INSR P06213 19/20 0.61
IGF1R P08069 13/20 0.61
AURKA O14965 4/20 0.61
AURKB Q96GD4 4/20 0.61
NTRK1 P04629 3/20 0.61
PLK4 O00444 2/20 0.58
DAPK3 O43293 2/20 0.58
PRKCG P05129 2/20 0.58
ROS1 P08922 2/20 0.58
FER P16591 2/20 0.58
LTK P29376 2/20 0.58
FRK P42685 2/20 0.58
MST1R Q04912 2/20 0.58
PTK2 Q05397 2/20 0.58
TNK2 Q07912 2/20 0.58
NTRK3 Q16288 2/20 0.58
MAP4K5 Q9Y4K4 2/20 0.58
WEE1 P30291 1/20 0.58
MAPK8 P45983 1/20 0.58

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
SCHEMBL3511890 0.97 ALK (0.64) ALKINSRIGF1RAURKAAURKB
SCHEMBL3510604 0.90 NTRK1 (0.59) ALKINSRIGF1RAURKAAURKB
SCHEMBL3680882 0.88 ALK (0.54) ALKINSRIGF1RAURKAAURKB
SCHEMBL3511728 0.85 ALK (0.78) ALKINSRIGF1RAURKAAURKB
SCHEMBL3512913 0.85 ALK (0.77) ALKINSRIGF1RAURKAAURKB
Hydrochloric Acid SCHEMBL3513458 0.85 ALK (0.76) ALKINSRIGF1RAURKAAURKB
SCHEMBL3512806 0.83 NTRK1 (0.57) ALKINSRIGF1RAURKAAURKB
SCHEMBL3513791 0.82 ALK (0.81) ALKINSRIGF1RAURKAAURKB
SCHEMBL31391648 0.81 NTRK1 (0.63) ALKINSRIGF1RAURKAAURKB
SCHEMBL28999430 0.80 ALK (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed