SCHEMBL8842473

SCHEMBL8842473

COc1cc(C(=N)N)ccc1-c1ccnc(-c2ccc(C(=N)N)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.48
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.44
PLAU P00749 5/20 0.43
F2 P00734 2/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 2/20 0.43
KLK1 P06870 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
F10 P00742 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL29524321 1.00 PRSS1 (0.48) PRSS1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL548424 0.81 MAPT (0.39) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL549293 0.78 MAP4K4 (0.59) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL30450715 0.78 NPC1 (0.60) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL29014990 0.78 NPC1 (0.60) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL1798065 0.77 NQO2 (0.46) PRSS1NPC1PRSS2PRSS3
SCHEMBL8842460 0.77 MEN1 (0.50) MEN1MAPTKMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8842387 0.77 MAP4K4 (0.58) PRSS1MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1796099 0.76 NQO2 (0.45) PRSS1NPC1PLAU
SCHEMBL395340 0.75 PRSS1 (0.55) PRSS1PRSS2PRSS3

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-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