SCHEMBL9251533

SCHEMBL9251533

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCC(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
TSHR P16473 3/20 0.40
RIPK2 O43353 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9251127 0.91 PTGER4 (0.47) PTGER4L3MBTL1JAK2JAK1TYK2
SCHEMBL9257280 0.91 PTGER4 (0.44) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251372 0.90 PTGER4 (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256221 0.89 PTGER4 (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251758 0.89 PTGER4 (0.56) PTGER4L3MBTL1TSHRUSP2HTT
SCHEMBL9252530 0.89 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255359 0.87 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256921 0.86 PTGER4 (0.56) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255240 0.86 PTGER4 (0.55) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9253890 0.85 PTGER4 (0.49) 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