SCHEMBL3676281

SCHEMBL3676281

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NCC3CN(C(=O)O)C3)c2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.89
INSR P06213 18/20 0.89
IGF1R P08069 12/20 0.89
AURKA O14965 4/20 0.74
AURKB Q96GD4 4/20 0.74
NTRK1 P04629 4/20 0.69
PLK4 O00444 2/20 0.69
DAPK3 O43293 2/20 0.69
PRKCG P05129 2/20 0.69
ROS1 P08922 2/20 0.69
FER P16591 2/20 0.69
LTK P29376 2/20 0.69
FRK P42685 2/20 0.69
MST1R Q04912 2/20 0.69
PTK2 Q05397 2/20 0.69
TNK2 Q07912 2/20 0.69
NTRK3 Q16288 2/20 0.69
MAP4K5 Q9Y4K4 2/20 0.69
JAK2 O60674 1/20 0.69
MAP4K4 O95819 1/20 0.69

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
SCHEMBL3513107 0.94 ALK (1.00) ALKINSRIGF1RAURKAAURKB
SCHEMBL3511488 0.91 ALK (0.88) ALKINSRIGF1RAURKAAURKB
SCHEMBL3514169 0.91 ALK (0.82) ALKINSRIGF1RAURKAAURKB
SCHEMBL31391748 0.90 ALK (0.86) ALKINSRIGF1RAURKAAURKB
SCHEMBL23901333 0.90 ALK (0.86) ALKINSRIGF1RAURKAAURKB
SCHEMBL3512875 0.87 ALK (1.00) ALKINSRIGF1RAURKAAURKB
SCHEMBL18142896 0.87 ALK (0.90) ALKINSRIGF1RAURKAAURKB
SCHEMBL3514179 0.86 ALK (1.00) ALKINSRIGF1RAURKAAURKB
SCHEMBL3511716 0.86 ALK (1.00) ALKINSRIGF1RAURKAAURKB
SCHEMBL3510546 0.86 ALK (1.00) 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