SCHEMBL7778637

SCHEMBL7778637

O=[N+]([O-])c1ccccc1Nc1ccncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
CASP7 P55210 1/20 0.54
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 6/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
LRRK2 Q5S007 1/20 0.46
EPAS1 Q99814 1/20 0.46
EGFR P00533 1/20 0.45
MITF O75030 1/20 0.44

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
SCHEMBL16657371 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL4810409 0.84 MEN1 (0.71) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL29744982 0.84 MEN1 (0.71) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL11901159 0.80 HTT (0.47) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL11998916 0.80 GSK3A (0.49) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL10569621 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL16655995 0.78 MAPT (0.47) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL16654895 0.78 MAPT (0.55) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL28523405 0.78 EPAS1 (0.52) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL27987003 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1L3MBTL1TDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0126254-B1 N-(2-NITROPHENYL)-4-AMINOPYRIMIDINE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1987-11-11 EP disclosed
US-4705790-A N-(2-nitrophenyl)-4-aminopyrimidine microbicides CIBA-GEIGY CORPORATION (US) 1987-11-10 US disclosed
US-4705790-A N-(2-nitrophenyl)-4-aminopyrimidine microbicides CIBA-GEIGY CORPORATION (US) 1987-11-10 US disclosed
US-4705790-A N-(2-nitrophenyl)-4-aminopyrimidine microbicides CIBA-GEIGY CORPORATION (US) 1987-11-10 US disclosed
EP-0139613-A1 N-(2-nitrophenyl)-4-aminopyrimidine derivatives, their preparation and use CIBA-GEIGY AG (CH) 1985-05-02 EP disclosed
EP-0139613-A1 N-(2-nitrophenyl)-4-aminopyrimidine derivatives, their preparation and use CIBA-GEIGY AG (CH) 1985-05-02 EP disclosed
EP-0126254-A1 N-(2-nitrophenyl)-4-aminopyrimidine derivatives as microbicides CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed