SCHEMBL7378255

SCHEMBL7378255

NC(=O)c1ccc(-c2nc(O)cc(O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.51
MKNK2 Q9HBH9 7/20 0.51
MYC P01106 1/20 0.50
MAP4K4 O95819 3/20 0.46
ERN1 O75460 1/20 0.46
LCK P06239 1/20 0.46
CHEK2 O96017 1/20 0.45
IKBKB O14920 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RIPK1 Q13546 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
SCHEMBL13381599 0.88 MKNK1 (0.45) MKNK1MKNK2MYCMAP4K4ERN1
SCHEMBL6495791 0.84 MKNK1 (0.42) MKNK1MKNK2MYCMAP4K4ERN1
SCHEMBL7375985 0.78 MKNK1 (0.53) MKNK1MKNK2MAP4K4CHEK2IKBKB
SCHEMBL7380578 0.78 MAP4K4 (0.48) MKNK1MKNK2MYCMAP4K4ERN1
SCHEMBL11586178 0.77 ALDH1A1 (0.53) NPC1RAB9ACA14
SCHEMBL15748062 0.76 MKNK1 (0.53) MKNK1MKNK2MAP4K4IKBKBNPC1
SCHEMBL2117350 0.76 CYP3A4 (0.54) ERN1
SCHEMBL1002578 0.75 CA2 (0.67) MKNK1MKNK2MAP4K4ERN1CA12
SCHEMBL4883417 0.74 MKNK1 (0.59) MKNK1MKNK2MAP4K4ERN1CHEK2
SCHEMBL9506862 0.73 LCK (0.45) MKNK1MKNK2LCK

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-6372751-B1 DRUGS WITH BENZENE AND PYRIMIDINE RINGS BERLEX LABORATORIES, INC. 2002-04-16 US disclosed
EP-1135131-A4 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LAB (US) 2002-01-02 EP disclosed
EP-1135131-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-09-26 EP disclosed
US-6127376-A A BLOOD FACTOR XA ENZYME INHIBITOR TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. (US) 2000-10-03 US disclosed
WO-2000033844-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LATORATORIES, INC. (US) 2000-06-15 WO disclosed