SCHEMBL2365867

SCHEMBL2365867

COC(=O)c1c(Cl)[nH]c(=O)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5028985 0.78 CYP1A2 (0.54) NPSR1NR4A2ALDH1A1LMNAHTT
SCHEMBL5512428 0.71 LMNA (0.41) NPSR1NR4A2ALDH1A1LMNAGAA
SCHEMBL8335107 0.68 CYP3A4 (0.38) NPSR1NR4A2ALDH1A1LMNAHTT
SCHEMBL2365704 0.68 CYP3A4 (0.50) NPSR1NR4A2ALDH1A1LMNAHTT
SCHEMBL6828158 0.68 PTPN1 (0.40) NPSR1NR4A2ALDH1A1LMNAHTT
SCHEMBL6825466 0.68 PTPN1 (0.40) NPSR1NR4A2ALDH1A1LMNAHTT
SCHEMBL6468905 0.67 NPSR1 (0.52) NPSR1NR4A2ALDH1A1LMNAHTT
SCHEMBL30020366 0.67 CYP1A2 (0.49) NR4A2GAAMAPTPDE3BPDE3A
SCHEMBL8380519 0.66 CA1 (0.48) NPSR1ALDH1A1LMNAGAATSHR
SCHEMBL29049264 0.66 CA12 (0.48) NPSR1ALDH1A1GAATSHRKMT2A

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
EP-2364973-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2014-07-09 EP disclosed
EP-2364973-A1 Heterocyclic inhibitors of MEK and Methods of use thereof Array Biopharma, Inc. (US) 2011-09-14 EP disclosed
EP-2134340-A1 COMBINATION THERAPY COMPRISING AZD2171 AND AZD6244 OR MEK-INHIBITOR II AstraZeneca AB (SE) 2009-12-23 EP disclosed
WO-2008125820-A1 COMBINATION THERAPY COMPRISING AZD2171 AND AZD6244 OR MEK-INHIBITOR II ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 WO disclosed