SCHEMBL12439769

SCHEMBL12439769

CCOC(=O)c1nc(Nc2ccccc2C)nc(Nc2cc(C3CC3)n[nH]2)c1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.66
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.38
CASP6 P55212 1/20 0.37
SLC26A6 Q9BXS9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4454629 0.93 IGF1R (0.77) IGF1RMAPTALDH1A1SIRT5NPC1
SCHEMBL14050600 0.92 IGF1R (0.56) IGF1RMAPTKMT2AHPGDMEN1
SCHEMBL14050422 0.82 IGF1R (0.65) IGF1RMAPTALDH1A1SIRT5SMN1; SMN2
SCHEMBL15109596 0.81 IGF1R (0.60) IGF1RMAPTALDH1A1SIRT5NPC1
SCHEMBL4454742 0.80 IGF1R (0.62) IGF1RSIRT5
SCHEMBL4454739 0.79 IGF1R (0.76) IGF1R
SCHEMBL13236125 0.78 IGF1R (0.54) IGF1RMAPTKMT2AHPGDMEN1
SCHEMBL12438424 0.77 IGF1R (0.59) IGF1RMAPTKMT2AHPGDMEN1
SCHEMBL11344922 0.77 IGF1R (0.76) IGF1RMAPTKMT2AMEN1ALDH1A1
SCHEMBL11342777 0.77 IGF1R (0.77) IGF1RMAPTKMT2AHPGDMEN1

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