SCHEMBL17059649

SCHEMBL17059649

O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.57
ERBB2 P04626 13/20 0.57
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
PPIA P62937 1/20 0.49
MET P08581 1/20 0.48
ERBB4 Q15303 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL17059641 0.88 EGFR (0.55) EGFRERBB2ERBB4
SCHEMBL17059626 0.85 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL17059657 0.84 KMT2A (0.54) EGFRMEN1ALDH1A1LMNAMAPT
SCHEMBL17059598 0.73 EGFR (0.69) EGFRMEN1ALDH1A1LMNAMAPT
SCHEMBL141880 0.73 EGFR (0.59) EGFRERBB2MEN1ALDH1A1LMNA
SCHEMBL29555766 0.73 EGFR (0.59) EGFRERBB2MEN1ALDH1A1LMNA
SCHEMBL28081958 0.72 EGFR (0.51) EGFRERBB2MEN1ALDH1A1KMT2A
SCHEMBL17059595 0.72 KMT2A (0.64) MEN1ALDH1A1LMNAMAPTMAPK1
SCHEMBL233118 0.72 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL18788863 0.71 EGFR (0.61) EGFRERBB2ERBB4

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-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed