SCHEMBL8886940

SCHEMBL8886940

N#Cc1ccc(-c2ccnc(-c3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.53
MEN1 O00255 11/20 0.50
KMT2A Q03164 11/20 0.50
MAPT P10636 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
IKBKB O14920 1/20 0.48
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
USP30 Q70CQ3 1/20 0.46
PRNP P04156 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAP4K4 O95819 1/20 0.45
JAK2 O60674 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMO O15229 1/20 0.42

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
SCHEMBL8842521 0.93 ABCG2 (0.62) ABCG2MEN1KMT2AMAPTNPC1
SCHEMBL16930781 0.83 ABCG2 (0.56) ABCG2MEN1KMT2AMAPTNPC1
SCHEMBL22377081 0.83 ABCG2 (0.46) ABCG2MEN1KMT2AMAPTIKBKB
SCHEMBL4378433 0.81 MEN1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8365595 0.81 ABCG2 (0.50) ABCG2MEN1KMT2AGAAUSP30
SCHEMBL1741768 0.79 CLK4 (0.62) ABCG2
SCHEMBL8511483 0.79 RARB (0.46) ABCG2MEN1KMT2AMAPTNPC1
SCHEMBL13492147 0.78 ABCG2 (0.57) ABCG2MEN1KMT2AMAPTNPC1
SCHEMBL643457 0.78 ABCG2 (0.61) ABCG2MEN1KMT2AALDH1A1
SCHEMBL30298952 0.78 ABCG2 (0.47) ABCG2USP30

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 4 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-5521189-A PYRIMIDINE COMPOUNDS AS ANTIPROTOZOA AGENTS THE UNIVERSITY OF NC AT CH (US) 1996-05-28 US disclosed