SCHEMBL6845277

SCHEMBL6845277

CNC(C)c1ccc(C(=O)Nc2ccnc(NOC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
BRAF P15056 2/20 0.41
TYK2 P29597 5/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
CAMK2D Q13557 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
CSF1R P07333 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6845264 0.89 RAB9A (0.51) ROCK2ROCK1BRAFTYK2JAK2
SCHEMBL988281 0.87 ROCK2 (0.61) ROCK2ROCK1BRAFTYK2JAK2
SCHEMBL6845275 0.87 ROCK2 (0.47) ROCK2ROCK1BRAFTYK2JAK2
SCHEMBL6845274 0.81 ROCK2 (0.48) ROCK2ROCK1ALDH1A1MEN1KMT2A
SCHEMBL6845267 0.77 ROCK2 (0.71) ROCK2ROCK1TYK2JAK2ALDH1A1
SCHEMBL6845271 0.77 ROCK2 (0.44) ROCK2ROCK1ALDH1A1MEN1KMT2A
SCHEMBL987306 0.73 ROCK2 (0.65) ROCK2ROCK1BRAFTYK2JAK2
SCHEMBL6559116 0.72 ROCK2 (0.64) ROCK2ROCK1BRAFTYK2JAK2
SCHEMBL27615981 0.68 KCNK9 (0.69) TYK2JAK2ALDH1A1MEN1PKM
SCHEMBL987766 0.68 ROCK2 (0.63) ROCK2ROCK1BRAFTYK2JAK2

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
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed