SCHEMBL21391096

SCHEMBL21391096

CC(C)(C)CC(=O)CCCc1nc2ccc(C#N)c(OC(F)(F)F)c2n1C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.33
JAK3 P52333 9/20 0.33
JAK2 O60674 9/20 0.33
TYK2 P29597 8/20 0.33
S1PR1 P21453 1/20 0.32

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
SCHEMBL21391086 0.86 AR (0.33) JAK1JAK3JAK2TYK2
SCHEMBL21390892 0.82 KDM4E (0.33) JAK1JAK3JAK2TYK2
SCHEMBL21391098 0.82 JAK1 (0.31) JAK1
SCHEMBL30315379 0.81 ALK (0.36) JAK1JAK3JAK2TYK2S1PR1
SCHEMBL21354691 0.81 ALK (0.36) JAK1JAK3JAK2TYK2S1PR1
SCHEMBL21390682 0.77 JAK1 (0.32) JAK1
SCHEMBL21390679 0.77 TNF (0.36) JAK1JAK3JAK2TYK2
SCHEMBL21390808 0.76 JAK2 (0.33) JAK1JAK3JAK2TYK2
SCHEMBL21390890 0.75 PLA2G1B (0.33) JAK1JAK2
SCHEMBL21390891 0.74 TNF (0.36) JAK1JAK3JAK2TYK2

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