SCHEMBL3457767

SCHEMBL3457767

COC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.33
C5AR1 P21730 1/20 0.33
NR1H2 P55055 2/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC1 Q13547 2/20 0.31
ADORA1 P30542 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
JAK1 P23458 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
SCHEMBL596325 0.88 ADORA1 (0.38) F12C5AR1NR1H2ADORA1
SCHEMBL19201023 0.85 C5AR1 (0.32) F12C5AR1JAK1
SCHEMBL6375680 0.84 C5AR1 (0.35) F12C5AR1NR1H2ADORA1
SCHEMBL16622327 0.78 C5AR1 (0.37) C5AR1NR1H2ADORA1
SCHEMBL6377226 0.75 C5AR1 (0.36) C5AR1
SCHEMBL19312086 0.74 C5AR1 (0.35) C5AR1ADORA1JAK1
SCHEMBL3327257 0.74 C5AR1 (0.33) C5AR1
SCHEMBL28839345 0.73 F12 (0.35) F12NR1H2ADORA1
SCHEMBL3331339 0.73 C5AR1 (0.34) C5AR1ADORA1
SCHEMBL28926418 0.72

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
EP-2266987-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors Pfizer Italia S.r.l. (IT) 2010-12-29 EP disclosed