SCHEMBL5141071

SCHEMBL5141071

CC(NC(=O)OC(C)(C)C)C1(C(=O)O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSL P07711 3/20 0.39
CTSK P43235 11/20 0.39
CTSS P25774 7/20 0.39
CYP2D6 P10635 1/20 0.38
CTSB P07858 2/20 0.38
KMT2A Q03164 2/20 0.37
BTK Q06187 1/20 0.35
PREP P48147 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL16057398 0.93 CA1 (0.44) CA1CA2CA7CTSLCTSK
SCHEMBL23909463 0.80 CA1 (0.44) CA1CA2CA7CTSLCTSK
SCHEMBL1370493 0.80 CA1 (0.44) CA1CA2CA7CTSLCTSK
SCHEMBL23909464 0.80 CA1 (0.44) CA1CA2CA7CTSLCTSK
SCHEMBL4555890 0.77 CTSK (0.46) CA1CA2CA7CTSLCTSK
SCHEMBL12188121 0.77 CA1 (0.41) CA1CA2CA7CTSLCTSK
SCHEMBL6056683 0.77 KMT2A (0.41) CA1CA2CA7CTSLCTSK
SCHEMBL6014816 0.77 KMT2A (0.41) CA1CA2CA7CTSLCTSK
SCHEMBL9509419 0.77 CA1 (0.40) CA1CA2CA7CTSLCTSK
SCHEMBL25663609 0.76 CA1 (0.46) CA1CA2CA7CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed