SCHEMBL97762

SCHEMBL97762

C[C@@H](Oc1cc(-c2c[nH]nc2C2CCNCC2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.76
MET P08581 13/20 0.64
JAK2 O60674 4/20 0.64
INSR P06213 3/20 0.64
MAP4K3 Q8IVH8 2/20 0.64
PLK4 O00444 2/20 0.64
AURKA O14965 2/20 0.64
DCLK1 O15075 2/20 0.64
PRKD3 O94806 2/20 0.64
ABL1 P00519 2/20 0.64
NTRK1 P04629 2/20 0.64
LCK P06239 2/20 0.64
FES P07332 2/20 0.64
CSF1R P07333 2/20 0.64
LYN P07948 2/20 0.64
RET P07949 2/20 0.64
IGF1R P08069 2/20 0.64
ROS1 P08922 2/20 0.64
SRC P12931 2/20 0.64
FER P16591 2/20 0.64

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
SCHEMBL15932993 0.86 ALK (1.00) ALKMETJAK2INSRMAP4K3
SCHEMBL17310246 0.86 ALK (1.00) ALKMETJAK2INSRMAP4K3
SCHEMBL5254859 0.84 ALK (0.78) ALKMETJAK2INSRMAP4K3
SCHEMBL5930845 0.80 ALK (0.72) ALKMETJAK2INSRMAP4K3
SCHEMBL5255269 0.80 ALK (0.71) ALKMETJAK2INSRMAP4K3
SCHEMBL5930528 0.79 ALK (0.70) ALKMETJAK2INSRMAP4K3
SCHEMBL30454647 0.79 MET (0.77) ALKMETJAK2
SCHEMBL488371 0.79 MET (0.77) ALKMETJAK2
SCHEMBL5256255 0.78 ALK (0.69) ALKMETJAK2INSRMAP4K3
Crizotinib SCHEMBL93829 0.78 MET (1.00) ALKMETJAK2INSRMAP4K3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280729-A2 CD20 THERAPIES, CD22 THERAPIES, AND COMBINATION THERAPIES WITH A CD19 CHIMERIC ANTIGEN RECEPTOR (CAR) - EXPRESSING CELL Novartis AG (CH) 2018-02-14 EP disclosed
WO-2016164731-A2 CD20 THERAPIES, CD22 THERAPIES, AND COMBINATION THERAPIES WITH A CD19 CHIMERIC ANTIGEN RECEPTOR (CAR) - EXPRESSING CELL NOVARTIS AG (CH) 2016-10-13 WO disclosed
WO-2016126608-A1 CAR-EXPRESSING CELLS AGAINST MULTIPLE TUMOR ANTIGENS AND USES THEREOF NOVARTIS AG (CH) 2016-08-11 WO disclosed
EP-2426213-A1 Marker for sunitnib resistance formation Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed