SCHEMBL9255857

SCHEMBL9255857

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.49
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
KMT2A Q03164 1/20 0.42
ABCC1 P33527 1/20 0.41
MCHR1 Q99705 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 2/20 0.41
RIPK2 O43353 1/20 0.41
ENPP2 Q13822 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
SCHEMBL9249301 0.92 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256921 0.90 PTGER4 (0.56) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255240 0.89 PTGER4 (0.55) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9253317 0.89 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251402 0.89 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL8863445 0.88 PTGER4 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248606 0.87 EHMT2 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9245485 0.86 PTGER4 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9252530 0.86 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251758 0.85 PTGER4 (0.56) PTGER4KMT2A

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