SCHEMBL9251127

SCHEMBL9251127

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCC(=O)N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.47
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
TYK2 P29597 4/20 0.42
JAK3 P52333 4/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
GCGR P47871 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9251533 0.91 PTGER4 (0.51) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9248766 0.90 ITGB3 (0.45) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9248459 0.90 ITGB3 (0.45) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9248450 0.90 ITGB3 (0.45) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9254834 0.89 ITGB3 (0.44) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9255435 0.89 PTGER4 (0.52) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255433 0.88 JAK2 (0.50) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9252622 0.86 JAK2 (0.48) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9248802 0.86 PTGER4 (0.52) PTGER4ITGB3ITGA2BJAK2JAK1
SCHEMBL9248925 0.85 PTGER4 (0.51) 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