SCHEMBL9252622

SCHEMBL9252622

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.48
JAK1 P23458 9/20 0.48
TYK2 P29597 9/20 0.48
JAK3 P52333 9/20 0.48
PTGER4 P35408 3/20 0.45
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
ITK Q08881 3/20 0.42
RIPK2 O43353 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9255433 0.96 JAK2 (0.50) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255982 0.92 JAK2 (0.52) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9251388 0.92 JAK2 (0.48) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248886 0.91 JAK2 (0.46) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9257115 0.91 JAK2 (0.60) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9251359 0.90 JAK2 (0.45) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9256002 0.90 JAK2 (0.46) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255359 0.90 PTGER4 (0.49) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9246297 0.90 PTGER4 (0.58) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9251208 0.90 ITGB3 (0.53) JAK2JAK1TYK2JAK3PTGER4

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