SCHEMBL31379876

SCHEMBL31379876

CN(C)c1cccc(Nc2nc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.48
GRM5 P41594 9/20 0.48
NAMPT P43490 2/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
PDK4 Q16654 1/20 0.44
PTK2 Q05397 1/20 0.44
PDE10A Q9Y233 1/20 0.41
WNT3A P56704 1/20 0.40
TNK2 Q07912 1/20 0.40

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
SCHEMBL21750805 0.89 GRM1 (0.46) GRM1GRM5NAMPTJAK2JAK3
SCHEMBL31379895 0.87 GRM1 (0.48) GRM1GRM5NAMPTJAK2JAK3
SCHEMBL31379880 0.83 JAK2 (0.56) NAMPTJAK2JAK3PTK2
SCHEMBL20552165 0.81 NAMPT (0.48) GRM1GRM5NAMPTJAK2JAK3
SCHEMBL31379931 0.80 GRM1 (0.58) GRM1GRM5NAMPTPDK4PDE10A
SCHEMBL20552141 0.77 TP53 (0.50) GRM1GRM5NAMPTPDK4PDE10A
SCHEMBL20551736 0.75 JAK2 (0.52) NAMPTJAK2JAK3PTK2
SCHEMBL31310816 0.74 ACP1 (0.40) JAK2JAK3PTK2
SCHEMBL20552488 0.74 ACP1 (0.40) JAK2JAK3PTK2
SCHEMBL2239831 0.74 NAMPT (0.66) GRM1GRM5NAMPTPDK4TNK2

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-2025027560-A1 NEW RHOJ/CDC42 INHIBITORS DEVELOPED FOR THE TREATMENT OF CANCER, BENIGN TUMORS, RETINAL DISORDERS, VASCULAR DISORDERS, AND CARDIOMYOPATHIES FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-02-06 WO disclosed