SCHEMBL14050575

SCHEMBL14050575

Clc1c(Nc2cc(C3CC3)n[nH]2)nc(NCC2CC(c3ccccc3)=NO2)nc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.53
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
NAPEPLD Q6IQ20 1/20 0.33
TNK2 Q07912 1/20 0.33
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL12439398 0.92 IGF1R (0.53) IGF1RJAK2JAK3TNK2
SCHEMBL14320040 0.82 IGF1R (0.49) IGF1RJAK2JAK3NAPEPLDTNK2
SCHEMBL1793212 0.81 IGF1R (0.78) IGF1R
SCHEMBL14161970 0.80 IGF1R (0.48) IGF1R
SCHEMBL12439829 0.78 IGF1R (0.52) IGF1RJAK2JAK3
SCHEMBL14320000 0.77 IGF1R (0.52) IGF1RJAK2JAK3NAPEPLDHTT
SCHEMBL12652961 0.73 IGF1R (0.66) IGF1R
SCHEMBL1787532 0.73 IGF1R (0.78) IGF1R
SCHEMBL12439783 0.73 IGF1R (0.51) IGF1R
SCHEMBL14161981 0.71 IGF1R (0.53) IGF1R

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
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed