SCHEMBL8842489

SCHEMBL8842489

N#Cc1ccc(Cc2nccc(-c3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.42
IKBKB O14920 2/20 0.42
CYP11B1 P15538 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MET P08581 1/20 0.41
JAK2 O60674 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
GAA P10253 1/20 0.40
CYP11B2 P19099 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAPK14 Q16539 1/20 0.38
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMO O15229 1/20 0.37

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
SCHEMBL2711098 0.79 MRGPRX4 (0.46) LOXL2PIK3CA
SCHEMBL10608721 0.79 MEN1 (0.42) MEN1KMT2ACYP19A1IKBKBCYP11B1
SCHEMBL8842468 0.79 MEN1 (0.50) MEN1KMT2AHRH3METGAA
SCHEMBL2710917 0.78 MYC (0.47) JAK2MAPK14PIK3CA
SCHEMBL6416179 0.77 TSHR (0.52) MEN1KMT2ACYP19A1IKBKBHRH3
SCHEMBL8886940 0.76 ABCG2 (0.53) MEN1KMT2AIKBKBJAK2GAA
SCHEMBL28172766 0.75 AURKA (0.52) MEN1KMT2ACYP11B1CYP11B2PIK3CA
SCHEMBL8842611 0.74 NISCH (0.54)
SCHEMBL4378433 0.73 MEN1 (0.48) MEN1KMT2ACYP19A1IKBKBJAK2
SCHEMBL398890 0.72 CYP11B1 (0.58) CYP19A1CYP11B1HRH3LOXL2CYP11B2

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
US-5686456-A DIARYLPYRIMIDINES THE UNIVERSITY OF NORTH CAROLINA (US) 1997-11-11 US disclosed
US-5627184-A BACTERICIDES OF PYRIMIDINE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-06 US disclosed
US-5622955-A ADMINISTERING 2,4-BIS-/4-GUANYLPHENYL/-PYRIMIDINE OR DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-04-22 US disclosed
US-5606058-A HAVING REDUCED SIDE EFFECTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-25 US disclosed
US-5521189-A PYRIMIDINE COMPOUNDS AS ANTIPROTOZOA AGENTS THE UNIVERSITY OF NC AT CH (US) 1996-05-28 US disclosed