SCHEMBL28785366

SCHEMBL28785366

Cc1c(C(N)=O)ccc(C(F)(F)F)c1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.53
MKNK2 Q9HBH9 10/20 0.53
CFTR P13569 1/20 0.47
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
BTK Q06187 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
ERN1 O75460 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
SCHEMBL16463190 0.84 MKNK1 (0.47) MKNK1MKNK2CFTRMAPK8MAPK10
SCHEMBL6173691 0.84 FABP4 (0.45) SCN9A
SCHEMBL29427280 0.83 SCN5A (0.49) MKNK1MKNK2CFTRMAPK8MAPK10
SCHEMBL27928558 0.83 MKNK1 (0.57) MKNK1MKNK2BTKCYP3A4CYP2C19
SCHEMBL16463132 0.82 MKNK1 (0.48) MKNK1MKNK2CFTRMAPK8MAPK10
SCHEMBL28225832 0.80 CFTR (0.46) MKNK1MKNK2CFTRMAPK8MAPK10
SCHEMBL4442762 0.77 MKNK1 (0.66) MKNK1MKNK2CFTRMAPK8MAPK10
SCHEMBL2421547 0.77 PTGS2 (0.44) CFTRLMNASCN5ASCN9AERN1
SCHEMBL22468503 0.76 MKNK1 (0.62) MKNK1MKNK2BTKCYP3A4CYP2C19
SCHEMBL28225836 0.76 CFTR (0.47) MKNK1MKNK2CFTRMAPK8MAPK10

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
CN-101855208-A 5, 6-diaryl pyridines substituted in the 2-and 3-position, their preparation and their therapeutic use SANOFI AVENTIS 2010-10-06 CN disclosed