SCHEMBL3638580

SCHEMBL3638580

CN(C)C1CCN(c2ccc(C(=O)O)c(NC3CCOCC3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.44
INSR P06213 8/20 0.44
ALK Q9UM73 8/20 0.44
IGF1R P08069 5/20 0.44
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
ROS1 P08922 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL3511487 0.86 GPR119 (0.41) INSRALKIGF1RPLK4AURKA
SCHEMBL16887726 0.85 ALK (0.56) ACLYINSRALKIGF1RPLK4
SCHEMBL3676371 0.82 ALK (0.53) ACLYINSRALKIGF1RPLK4
SCHEMBL12466224 0.81 HRH4 (0.46) ACLYINSRALKIGF1RPLK4
SCHEMBL12467704 0.81 HRH4 (0.46) ACLYINSRALKIGF1RPLK4
SCHEMBL3640173 0.80 INSR (0.44) ACLYINSRALKIGF1RPLK4
SCHEMBL12682537 0.76 ALK (0.54) INSRALKIGF1RPLK4AURKA
SCHEMBL12466522 0.76 BTK (0.45) INSRALKIGF1RBTK
SCHEMBL12466518 0.76 BTK (0.45) INSRALKIGF1RBTK
SCHEMBL17848239 0.76 ALK (0.53) INSRALKIGF1RPLK4AURKA

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