SCHEMBL7375985

SCHEMBL7375985

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.53
MKNK2 Q9HBH9 7/20 0.53
MAP4K4 O95819 6/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
IKBKB O14920 1/20 0.44
CHEK2 O96017 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RIPK1 Q13546 1/20 0.43

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
SCHEMBL7380246 0.79 MAP4K4 (0.51) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL7378255 0.78 MKNK1 (0.51) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL4394095 0.77 CHEK2 (0.45) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL10747874 0.75 MEN1 (0.53) NPC1RAB9AATP4AATP4B
SCHEMBL10498625 0.75 MEN1 (0.53) NPC1RAB9AATP4AATP4B
SCHEMBL3281481 0.74 LMNA (0.48) MKNK1MKNK2MAP4K4
SCHEMBL15748062 0.74 MKNK1 (0.53) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL3166068 0.74 NPC1 (0.58) NPC1RAB9AATP4AATP4B
SCHEMBL1002578 0.73 CA2 (0.67) MKNK1MKNK2MAP4K4CA12CA1
SCHEMBL4883417 0.73 MKNK1 (0.59) MKNK1MKNK2MAP4K4CHEK2CA1

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