SCHEMBL7664862

SCHEMBL7664862

CC(Nc1nccc(-n2cc(C(=O)O)nc2-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.54
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
IDH1 O75874 10/20 0.48

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
SCHEMBL7664856 1.00 LCK (0.54) LCKJAK2JAK3IDH1
SCHEMBL7663006 0.89 LCK (0.45) LCKJAK2JAK3IDH1
SCHEMBL7668093 0.88 GABRA2 (0.56) LCKJAK2JAK3IDH1
SCHEMBL7590690 0.88 MAPK14 (0.52) LCKIDH1
SCHEMBL7590696 0.88 MAPK14 (0.52) LCKIDH1
SCHEMBL7528721 0.80 MAPK14 (0.54) IDH1
SCHEMBL7665192 0.78 MAPK14 (0.51) LCKIDH1
SCHEMBL7665202 0.78 MAPK14 (0.51) LCKIDH1
SCHEMBL27581646 0.78 LCK (0.53) LCKJAK2JAK3IDH1
SCHEMBL6981895 0.78 LCK (0.53) LCKJAK2JAK3IDH1

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-6492516-B1 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF WHICH EXHIBIT UTILITY FOR THE TREATMENT OF CYTOKINE MEDIATED DISEASES SUCH AS ARTHRITIS. MERCK & CO., INC. 2002-12-10 US disclosed