SCHEMBL12439398

SCHEMBL12439398

CN1CCN(c2nc(NCC3CC(c4ccccc4)=NO3)nc(Nc3cc(C4CC4)n[nH]3)c2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.53
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TNK2 Q07912 5/20 0.34
JAK2 O60674 3/20 0.33
SRC P12931 2/20 0.33
ALK Q9UM73 2/20 0.33
JAK3 P52333 1/20 0.33
CHEK1 O14757 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
ROS1 P08922 1/20 0.33
FGFR1 P11362 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL14050575 0.92 IGF1R (0.53) IGF1RTNK2JAK2JAK3
SCHEMBL1787532 0.81 IGF1R (0.78) IGF1R
SCHEMBL14161970 0.81 IGF1R (0.48) IGF1R
SCHEMBL14320005 0.77 IGF1R (0.52) IGF1RHRH2HRH1HRH4HRH3
SCHEMBL12439393 0.76 IGF1R (0.49) IGF1RHRH2HRH1HRH4HRH3
SCHEMBL14320040 0.74 IGF1R (0.49) IGF1RTNK2JAK2JAK3CHEK1
SCHEMBL12439783 0.74 IGF1R (0.51) IGF1R
SCHEMBL13234901 0.73 IGF1R (0.66) IGF1R
SCHEMBL1793212 0.73 IGF1R (0.78) IGF1R
SCHEMBL12438433 0.72 IGF1R (0.55) IGF1RTNK2SRCABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed