SCHEMBL30865008

SCHEMBL30865008

CCS(=O)(=O)N1CC(n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.59
JAK2 O60674 18/20 0.59
JAK3 P52333 12/20 0.59
TYK2 P29597 2/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
ROCK2 O75116 1/20 0.59
ULK1 O75385 1/20 0.59
PRKCB P05771 1/20 0.59
RET P07949 1/20 0.59
PRKCA P17252 1/20 0.59
PRKACA P17612 1/20 0.59
MARK3 P27448 1/20 0.59
STAT3 P40763 1/20 0.59
CLK1 P49759 1/20 0.59
CSNK1G2 P78368 1/20 0.59
PRKCD Q05655 1/20 0.59
MAP3K1 Q13233 1/20 0.59
ROCK1 Q13464 1/20 0.59
TNK1 Q13470 1/20 0.59

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
SCHEMBL3378532 1.00 JAK1 (0.59) JAK1JAK2JAK3TYK2CIT
SCHEMBL3376221 0.92 JAK1 (0.52) JAK1JAK2JAK3TYK2CIT
SCHEMBL4121427 0.91 JAK1 (0.53) JAK1JAK2JAK3TYK2CIT
SCHEMBL28472073 0.90 JAK1 (0.67) JAK1JAK2JAK3TYK2CIT
SCHEMBL3377122 0.88 JAK1 (0.52) JAK1JAK2JAK3TYK2CIT
SCHEMBL3376612 0.88 JAK2 (0.49) JAK1JAK2JAK3TYK2CIT
SCHEMBL15389545 0.88 JAK2 (0.57) JAK1JAK2JAK3TYK2CIT
SCHEMBL27853563 0.88 JAK1 (0.49) JAK1JAK2JAK3TYK2CIT
SCHEMBL15389408 0.88 JAK2 (0.57) JAK1JAK2JAK3TYK2CIT
SCHEMBL30566911 0.88 JAK2 (0.57) JAK1JAK2JAK3TYK2CIT

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
WO-2024063424-A1 MICROSPHERES COMPRISING BARICITINIB, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 아울바이오 2024-03-28 WO disclosed