SCHEMBL26469442

SCHEMBL26469442

CC(C)C1CCCCN(C(=O)/C=C/CN(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.45
CDK4 P11802 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
BTK Q06187 2/20 0.39
EGFR P00533 6/20 0.39
LCK P06239 1/20 0.38
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL410261 0.96 JAK3 (0.48) JAK3CDK4CDK7CDK9BTK
SCHEMBL2618873 0.96 JAK3 (0.48) JAK3CDK4CDK7CDK9BTK
SCHEMBL17928309 0.96 JAK3 (0.48) JAK3CDK4CDK7CDK9BTK
SCHEMBL20892752 0.92 JAK3 (0.41) JAK3CDK4CDK7CDK9BTK
SCHEMBL20892949 0.92 JAK3 (0.41) JAK3CDK4CDK7CDK9BTK
SCHEMBL21884776 0.85 JAK3 (0.46) JAK3CDK4CDK7CDK9BTK
SCHEMBL20892791 0.84 JAK3 (0.36) JAK3CDK4CDK7CDK9BTK
SCHEMBL410131 0.83 CCR2 (0.39) JAK3CDK4CDK7CDK9BTK
SCHEMBL409255 0.83 BTK (0.41) JAK3CDK4CDK7CDK9BTK
SCHEMBL24348777 0.82 ALDH1A1 (0.47) JAK3BTKEGFRCYP2D6CYP3A4

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-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed