SCHEMBL9251820

SCHEMBL9251820

COCCn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NCCC(=O)OC)ccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.58
RIPK2 O43353 1/20 0.53
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL9252530 0.94 PTGER4 (0.51) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9246297 0.93 PTGER4 (0.58) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9255359 0.93 PTGER4 (0.49) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9253890 0.93 PTGER4 (0.49) PTGER4RIPK2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL9254631 0.92 PTGER4 (0.49) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9248154 0.91 JAK2 (0.55) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9248598 0.91 EPHX2 (0.52) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9251522 0.91 PTGER4 (0.47) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9249355 0.90 PTGER4 (0.47) PTGER4RIPK2JAK2JAK1TYK2
SCHEMBL9255288 0.90 PTGER4 (0.48) PTGER4RIPK2JAK2JAK1TYK2

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