SCHEMBL8066138

SCHEMBL8066138

COC(=O)c1cc(-c2nnn(C[C@H]3CC[C@H](N)CC3)n2)nc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.44
MMP3 P08254 2/20 0.41
MERTK Q12866 1/20 0.40
SLC22A8 Q8TCC7 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
SCHEMBL3814040 0.85 MMP13 (0.57) MMP13MMP3SLC22A8
SCHEMBL3809990 0.85 MMP13 (0.57) MMP13MMP3SLC22A8
SCHEMBL3758113 0.84 MMP13 (0.42) MMP13MMP3
SCHEMBL3758118 0.84 MMP13 (0.42) MMP13MMP3
SCHEMBL27792573 0.81 MMP13 (0.42) MMP13SLC22A8
SCHEMBL3804778 0.81 MMP13 (0.71) MMP13MMP3
SCHEMBL3805005 0.81 MMP13 (0.71) MMP13MMP3
SCHEMBL8071597 0.80 MMP13 (0.72) MMP13MMP3SLC22A8
SCHEMBL3752545 0.78 MMP13 (0.68) MMP13MMP3
SCHEMBL3757564 0.78 MMP13 (0.68) MMP13MMP3

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
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed