SCHEMBL2276041

SCHEMBL2276041

NC(=O)C1CCC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.48
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
JAK2 O60674 4/20 0.36
JAK3 P52333 3/20 0.36
TYK2 P29597 2/20 0.36
CYP2C19 P33261 1/20 0.35
AURKA O14965 1/20 0.34
PRKCA P17252 1/20 0.34
KDR P35968 1/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL2226057 0.88 JAK1 (0.51) JAK1HTR2AHTR6JAK2JAK3
SCHEMBL2223730 0.88 JAK1 (0.53) JAK1JAK2JAK3TYK2CYP2C19
SCHEMBL2276333 0.86 JAK1 (0.52) JAK1HTR6JAK2JAK3TYK2
SCHEMBL2279026 0.86 JAK1 (0.52) JAK1HTR6JAK2JAK3TYK2
SCHEMBL2274747 0.86 KMT2A (0.48) JAK1JAK2JAK3TYK2CYP2C19
SCHEMBL2280883 0.86 HTT (0.50) JAK1CYP2C19SMN1; SMN2
SCHEMBL2273826 0.86 JAK1 (0.48) JAK1HTR6JAK2JAK3TYK2
SCHEMBL2273234 0.86 JAK1 (0.48) JAK1HTR1AHTR7HTR6JAK2
SCHEMBL2278926 0.85 JAK1 (0.47) JAK1HTR2AHTR6JAK2JAK3
SCHEMBL2273246 0.85 JAK1 (0.52) JAK1JAK2JAK3TYK2CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3228649-B1 TREATMENT OF ALKOXYLATION PRODUCTS OBTAINED BY ALKALINE CATALYSIS EVONIK OPERATIONS GMBH (DE) 2020-07-15 EP disclosed
EP-3228649-A1 TREATMENT OF ALKOXYLATION PRODUCTS OBTAINED BY ALKALINE CATALYSIS Evonik Degussa GmbH (DE) 2017-10-11 EP disclosed
EP-2994497-A1 POLYOXYALKYLENES WITH PENDANT LONG-CHAIN ACYLOXY GROUPS AND METHOD FOR PRODUCING SAME USING DMC CATALYSTS Evonik Degussa GmbH (DE) 2016-03-16 EP disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
EP-2524938-A1 Alkoxylation products and method for producing same by means of DMC catalysts Evonik Goldschmidt GmbH (DE) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed