SCHEMBL9256255

SCHEMBL9256255

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
JAK3 P52333 1/20 0.50
ADORA2A P29274 2/20 0.45
RIPK2 O43353 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
SCHEMBL9248358 0.88 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256202 0.88 JAK2 (0.55) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9247566 0.87 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9247747 0.87 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9253691 0.85 JAK2 (0.60) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255820 0.85 ADORA2A (0.54) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254291 0.85 JAK2 (0.59) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251402 0.84 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255968 0.84 HDAC1 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9252877 0.81 ENPP2 (0.55) 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