SCHEMBL7439707

SCHEMBL7439707

[c]1ccc(-c2cccnc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPRC P08575 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
CDC25B P30305 3/20 0.32
S100A4 P26447 3/20 0.32
CTSL P07711 1/20 0.30

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
SCHEMBL7431528 0.88 MEN1 (0.36) MEN1THRBBLMKMT2ATDP1
SCHEMBL14663824 0.86 PTGS2 (0.43) MEN1THRBBLMKMT2ATDP1
SCHEMBL8112420 0.82 TDP2 (0.39) MEN1THRBBLMKMT2ATDP1
SCHEMBL4712959 0.80 DCUN1D1 (0.36)
SCHEMBL6176 0.75
SCHEMBL14663825 0.74 PTGS1 (0.43) MEN1THRBBLMKMT2ATDP1
SCHEMBL7430711 0.73 RPS6KA3 (0.39)
SCHEMBL28594311 0.73 PTGS2 (0.55) MEN1THRBBLMKMT2ATDP1
SCHEMBL715111 0.73 PTGS2 (0.55) MEN1THRBBLMKMT2ATDP1
SCHEMBL27513088 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed