SCHEMBL21391174

SCHEMBL21391174

CC(C)(O)CC(=O)CCCCc1nc2ccc(Cl)c(C#N)c2n1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.35
JAK3 P52333 8/20 0.35
JAK2 O60674 7/20 0.35
TYK2 P29597 7/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 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
SCHEMBL21390892 0.91 KDM4E (0.33) JAK1JAK3JAK2TYK2KDM4E
SCHEMBL21390803 0.81 CCNT1 (0.35) JAK1JAK3JAK2TYK2
SCHEMBL21391067 0.80 KDM4E (0.32) JAK1JAK3JAK2TYK2KDM4E
SCHEMBL18779273 0.78 KDM4E (0.40) JAK1JAK3JAK2TYK2KDM4E
SCHEMBL21391086 0.77 AR (0.33) JAK1JAK3JAK2TYK2KDM4E
SCHEMBL21390891 0.75 TNF (0.36) JAK1JAK3JAK2TYK2
SCHEMBL21391073 0.75 PDE10A (0.37)
SCHEMBL21390682 0.74 JAK1 (0.32) JAK1
SCHEMBL21391096 0.74 JAK1 (0.33) JAK1JAK3JAK2TYK2
SCHEMBL21390979 0.74 HDAC1 (0.32) JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed