SCHEMBL6096610

SCHEMBL6096610

Cc1nc(C)c(C(=O)N(C)c2ccc(C(Cc3ccccc3F)c3nc4c([nH]3)c(=O)[nH]c(=O)n4CC3CC3)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 12/20 0.36
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 1/20 0.31
CCR5 P51681 1/20 0.30

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
SCHEMBL6097928 0.94 PCK1 (0.39) PCK1
SCHEMBL6098840 0.91 PCK1 (0.36) PCK1
SCHEMBL3977678 0.89 PCK1 (0.35) PCK1
SCHEMBL3982926 0.87 PCK1 (0.36) PCK1
SCHEMBL6096021 0.87 PCK1 (0.38) PCK1
SCHEMBL6098692 0.87 PCK1 (0.36) PCK1
SCHEMBL6097396 0.87 PCK1 (0.36) PCK1CCR5
SCHEMBL3981838 0.86 PCK1 (0.35) PCK1KMT2A
SCHEMBL3978805 0.86 PCK1 (0.38) PCK1KMT2A
SCHEMBL3978694 0.85 PCK1 (0.37) PCK1CCR5

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-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed