SCHEMBL9251372

SCHEMBL9251372

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCC(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.43
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
JAK3 P52333 5/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
RIPK2 O43353 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 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
SCHEMBL9248459 0.92 ITGB3 (0.45) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251533 0.90 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9257280 0.90 PTGER4 (0.44) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255102 0.89 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9248958 0.89 PTGER4 (0.46) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256221 0.89 PTGER4 (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9252530 0.88 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255359 0.86 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248450 0.85 ITGB3 (0.45) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251820 0.85 PTGER4 (0.58) PTGER4JAK2JAK1TYK2JAK3

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