SCHEMBL9251375

SCHEMBL9251375

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(CN)cc1)n2CCCN

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.53
JAK1 P23458 9/20 0.53
TYK2 P29597 9/20 0.53
JAK3 P52333 9/20 0.53
PTGER4 P35408 4/20 0.49
EPHX2 P34913 1/20 0.47
RIPK2 O43353 1/20 0.45
ITK Q08881 1/20 0.45
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
Hydrochloric Acid SCHEMBL9254679 0.91 SIRT2 (0.51) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248154 0.90 JAK2 (0.55) JAK2JAK1TYK2JAK3PTGER4
Acetic Acid SCHEMBL9248143 0.89 JAK2 (0.56) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9253691 0.89 JAK2 (0.60) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9254291 0.88 JAK2 (0.59) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9253585 0.88 PTGER4 (0.47) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9252320 0.87 HDAC1 (0.51) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9253878 0.87 JAK2 (0.51) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9251326 0.86 ENPP2 (0.58) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248594 0.84 HDAC1 (0.50) PTGER4RIPK2

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