SCHEMBL16253370

SCHEMBL16253370

CC(N1CCC(NC(=O)OC(C)(C)C)C1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.54
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4D Q6B0I6 16/20 0.47
CYP2C9 P11712 1/20 0.46
HSD11B1 P28845 1/20 0.46
KDM6A O15550 1/20 0.42

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
SCHEMBL21227864 0.92 CTSK (0.50) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL12026411 0.86 CTSK (0.59) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL14024975 0.86 CTSK (0.59) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL21779949 0.86 CTSK (0.59) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL21527239 0.82 CTSK (0.56) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL16253364 0.81 CA1 (0.39) CA1CA2KDM4D
SCHEMBL513076 0.81 HRH3 (0.37) KDM4D
SCHEMBL24261283 0.80 CTSK (0.53) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL16407677 0.80 CTSK (0.53) CTSKCA1CA2KDM4DCYP2C9
SCHEMBL1456569 0.80 CTSK (0.55) CTSKCA1CA2KDM4DCYP2C9

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-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed