SCHEMBL9250822

SCHEMBL9250822

COC(=O)CCNC(=O)c1cnc2c(c1)nc(-c1ccc(C#N)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
EGLN1 Q9GZT9 9/20 0.45
EGLN2 Q96KS0 2/20 0.42
TRPA1 O75762 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL9249665 0.85 TMPRSS15 (0.42) ADORA2A
SCHEMBL9255968 0.85 HDAC1 (0.51) ADORA2AEGLN1EGLN2TRPA1JAK2
SCHEMBL9256202 0.78 JAK2 (0.55) ADORA2ATRPA1JAK2JAK1TYK2
SCHEMBL9252129 0.77 IRAK4 (0.41) ADORA2AIRAK4EGLN1EGLN2TRPA1
SCHEMBL9248776 0.76 NAMPT (0.41) EGLN1EGLN2
SCHEMBL9253691 0.76 JAK2 (0.60) ADORA2AJAK2JAK1TYK2JAK3
SCHEMBL9255820 0.76 ADORA2A (0.54) ADORA2AJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254291 0.76 JAK2 (0.59) ADORA2AJAK2JAK1TYK2JAK3
SCHEMBL9252486 0.76 ITGB3 (0.43)
Bromide SCHEMBL9254604 0.75 ITGB3 (0.43)

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed