SCHEMBL17848202

SCHEMBL17848202

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5ccc(O)cc5)c(Cc5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.56
INSR P06213 19/20 0.56
IGF1R P08069 12/20 0.56
AURKA O14965 3/20 0.56
AURKB Q96GD4 3/20 0.56
NTRK1 P04629 3/20 0.56
PLK4 O00444 2/20 0.56
DAPK3 O43293 2/20 0.56
PRKCG P05129 2/20 0.56
ROS1 P08922 2/20 0.56
FER P16591 2/20 0.56
LTK P29376 2/20 0.56
FRK P42685 2/20 0.56
MST1R Q04912 2/20 0.56
PTK2 Q05397 2/20 0.56
TNK2 Q07912 2/20 0.56
NTRK3 Q16288 2/20 0.56
MAP4K5 Q9Y4K4 2/20 0.56
JAK2 O60674 1/20 0.56
MAP4K4 O95819 1/20 0.56

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
SCHEMBL17848090 0.90 ALK (0.59) ALKINSRIGF1RAURKAAURKB
SCHEMBL3513707 0.87 ALK (0.73) ALKINSRIGF1RAURKAAURKB
SCHEMBL17848130 0.86 INSR (0.75) ALKINSRIGF1RAURKAAURKB
SCHEMBL14814222 0.83 ALK (0.61) ALKINSRIGF1RAURKAAURKB
SCHEMBL14814304 0.82 ALK (0.57) ALKINSRIGF1RAURKAAURKB
SCHEMBL24276939 0.82 ALK (0.57) ALKINSRIGF1RAURKAAURKB
SCHEMBL28999470 0.82 ALK (0.57) ALKINSRIGF1RAURKAAURKB
SCHEMBL17848148 0.82 ALK (0.70) ALKINSRIGF1RAURKAAURKB
SCHEMBL17848208 0.81 INSR (0.78) ALKINSRIGF1RAURKAAURKB
SCHEMBL17848105 0.81 INSR (0.71) 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-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO disclosed