SCHEMBL17059657

SCHEMBL17059657

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.51
HTT P42858 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
BAZ1A Q9NRL2 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
CSNK1A1 P48729 1/20 0.50
TP53 P04637 1/20 0.50
DDX3X O00571 1/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MET P08581 1/20 0.49
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
PRKCA P17252 3/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17059658 0.85 CSNK1A1 (0.58) KMT2AMEN1HTTMAPTLMNA
SCHEMBL27877544 0.84 MEN1 (0.71) KMT2AMEN1HTTMAPTLMNA
SCHEMBL17059649 0.84 EGFR (0.57) KMT2AMEN1HTTMAPTLMNA
SCHEMBL17059660 0.82 EGFR (0.68) CSNK1A1EGFR
SCHEMBL17059598 0.81 EGFR (0.69) KMT2AMEN1HTTMAPTLMNA
SCHEMBL17059595 0.80 KMT2A (0.64) KMT2AMEN1HTTMAPTLMNA
SCHEMBL17059603 0.78 EGFR (0.60) KMT2AMEN1HTTMAPTLMNA
SCHEMBL17059681 0.77 EGFR (0.72) KMT2ALMNAALDH1A1SMN1; SMN2EGFR
SCHEMBL17059645 0.75 KMT2A (0.57) KMT2AMEN1HTTMAPTLMNA
SCHEMBL17059594 0.75 EGFR (0.58) KMT2AMEN1HTTMAPTLMNA

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