SCHEMBL9253585

SCHEMBL9253585

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(CN)cc1)n2CCCN1CCSCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
EPHX2 P34913 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
MCHR1 Q99705 4/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
RIPK2 O43353 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MC4R P32245 1/20 0.40
ADORA2A P29274 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
SCHEMBL9254672 0.91 JAK2 (0.44) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL8863337 0.91 PTGER4 (0.47) PTGER4EPHX2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL9245428 0.90 PTGER4 (0.47) PTGER4EPHX2JAK2JAK1TYK2
SCHEMBL9248924 0.89 PTGER4 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251375 0.88 JAK2 (0.53) PTGER4EPHX2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL9254679 0.85 SIRT2 (0.51) PTGER4EPHX2JAK2JAK1TYK2
SCHEMBL9248699 0.82 JAK2 (0.44) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251758 0.81 PTGER4 (0.56) PTGER4
SCHEMBL9255102 0.81 PTGER4 (0.47) PTGER4EPHX2JAK2JAK1TYK2
SCHEMBL9255099 0.81 PTGER4 (0.47) PTGER4EPHX2JAK2JAK1TYK2

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