SCHEMBL2858034

SCHEMBL2858034

CC(C)(C)OC(=O)NC=Nc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
MALT1 Q9UDY8 6/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.41
CCR1 P32246 2/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MET P08581 1/20 0.40
MST1R Q04912 1/20 0.40
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4882364 0.88 KDM4E (0.48) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL2858036 0.81 BRAF (0.44) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL13513708 0.78 KDM4E (0.53) BRAFMALT1KDM4EALDH1A1MAPT
SCHEMBL2852818 0.78 NPC1 (0.50) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL14539344 0.77 KDM4E (0.52) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL2852028 0.77 MAPT (0.46) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL2857034 0.76 KDM4E (0.62) BRAFKDM4EALDH1A1NR1H4MAPT
SCHEMBL2850892 0.76 NR1H4 (0.53) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL14258157 0.75 KEAP1 (0.50) BRAFMALT1KDM4EALDH1A1NR1H4
SCHEMBL13513684 0.75 CCR1 (0.54) BRAFMALT1KDM4EALDH1A1NR1H4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed