SCHEMBL9255568

SCHEMBL9255568

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.45
JAK1 P23458 4/20 0.45
TYK2 P29597 4/20 0.45
JAK3 P52333 4/20 0.45
RHEB Q15382 1/20 0.44
PTGER4 P35408 4/20 0.43
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
RIPK2 O43353 1/20 0.42
NLRP3 Q96P20 3/20 0.41
CSNK2A2 P19784 1/20 0.41
CLK2 P49760 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
F10 P00742 1/20 0.40
PPARG P37231 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9247562 0.92 JAK2 (0.48) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9253317 0.92 PTGER4 (0.47) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255552 0.91 RHEB (0.48) JAK2JAK1TYK2JAK3RHEB
SCHEMBL9251311 0.90 MEN1 (0.43) PTGER4DRD2TBXA2RCSNK2A2CLK2
SCHEMBL9252530 0.88 PTGER4 (0.51) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9251522 0.88 PTGER4 (0.47) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248851 0.86 PTGER4 (0.49) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9251820 0.86 PTGER4 (0.58) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9253890 0.86 PTGER4 (0.49) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255359 0.86 PTGER4 (0.49) 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