SCHEMBL27560751

SCHEMBL27560751

Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.52
MAPK1 P28482 4/20 0.44
MAPK6 Q16659 4/20 0.44
MAPKAPK3 Q16644 3/20 0.44
MAPKAPK5 Q8IW41 2/20 0.44
PDE2A O00408 2/20 0.42
MAPKAPK2 P49137 2/20 0.42
PLAU P00749 1/20 0.41
KIF11 P52732 2/20 0.41
IKBKB O14920 1/20 0.41
P2RX7 Q99572 1/20 0.41
DHODH Q02127 2/20 0.40
CASP1 P29466 1/20 0.40
KIT P10721 1/20 0.40
BACE1 P56817 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6052531 0.84 MAPK1 (0.44) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL28749489 0.83 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL7510671 0.81 IKBKB (0.47) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL27557921 0.81 MAP2K4 (0.43) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL1528566 0.80 GAA (0.54) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL27578364 0.78 BACE1 (0.55) MAPK1BACE1
SCHEMBL27579927 0.77 IDO1 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL19035 0.74 KMT2A (0.67) MAPK1IKBKBBACE1NPC1
SCHEMBL27558026 0.73 KDM4E (0.55) MAPK1BACE1
SCHEMBL28319174 0.72 POLB (0.44) MAP2K4IKBKBP2RX7

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-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN claimed