SCHEMBL3762298

SCHEMBL3762298

COC(=O)c1cc(C(=O)NCc2ccc(F)c(OC)c2)nc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.53
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NOD2 Q9HC29 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13729454 0.91 MMP13 (0.53) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8068341 0.90 MMP13 (0.52) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8065850 0.89 MMP13 (0.53) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8067164 0.88 MMP13 (0.54) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL13729083 0.87 MMP13 (0.55) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8066237 0.86 MMP13 (0.49) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL13729214 0.86 MMP13 (0.51) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL13728389 0.86 MMP13 (0.55) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL3692307 0.85 MMP13 (0.51) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL3690357 0.85 MMP13 (0.50) MMP13ROCK2ROCK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed