SCHEMBL9301571

SCHEMBL9301571

CN(NC(=O)Cc1nc2cc(F)c(N3CCN(C(=O)O)C(C(C)(C)C)C3)cc2n1C1CC1)C(=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
TOP2B Q02880 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
SCHEMBL9847718 0.90 CYP11B2 (0.35) RORCJAK2JAK1TYK2JAK3
SCHEMBL9301575 0.86 RORC (0.39) RORC
SCHEMBL9302442 0.79 RORC (0.41) RORC
SCHEMBL9301682 0.74 RORC (0.42) RORC
SCHEMBL9303809 0.74 HTT (0.41) RORC
SCHEMBL9847732 0.73 HTT (0.43) RORC
SCHEMBL9301471 0.72 RORC (0.41) RORC
SCHEMBL9302252 0.72 ACHE (0.42) RORC
SCHEMBL9301681 0.71 HTT (0.42) RORC
SCHEMBL9301969 0.70 GRM5 (0.42) RORCTOP2B

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-5283248-A Bactericides, enzyme inhibitor of DNA-gyrase in bacteria HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed