SCHEMBL21390870

SCHEMBL21390870

CC(C)(C)CC(=O)CCCCc1nc2ccc(C3(O)CCC3)c(C(F)(F)F)c2n1C1CCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.30

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
SCHEMBL21390819 0.89 CNR2 (0.32) JAK1
SCHEMBL21391098 0.88 JAK1 (0.31) JAK1
SCHEMBL21391086 0.84 AR (0.33) JAK1
SCHEMBL21354577 0.79 EGFR (0.36)
SCHEMBL21390872 0.76 HCAR1 (0.36) JAK1
SCHEMBL21390924 0.74 HTR3A (0.34) JAK1
SCHEMBL23132031 0.74 CYP11B2 (0.41)
SCHEMBL21391096 0.74 JAK1 (0.33) JAK1
SCHEMBL21390979 0.73 HDAC1 (0.32) JAK1
SCHEMBL21390787 0.73 RORC (0.30)

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