SCHEMBL31379895

SCHEMBL31379895

CC(C)(C)OC(=O)N1CC=C(c2cc(-c3ccccc3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.48
GRM5 P41594 9/20 0.48
NAMPT P43490 1/20 0.45
PDK4 Q16654 1/20 0.44
IDH2 P48735 2/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
SCN9A Q15858 1/20 0.42
TNK2 Q07912 1/20 0.41
SOS1 Q07889 1/20 0.41

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
SCHEMBL31379876 0.87 GRM1 (0.48) GRM1GRM5NAMPTPDK4JAK2
SCHEMBL31379877 0.83 JAK3 (0.51) IDH2JAK2JAK3PTK2
SCHEMBL31379900 0.83 APP (0.48) GRM1GRM5NAMPTPDK4IDH2
SCHEMBL31379912 0.82 SCN9A (0.45) GRM1GRM5NAMPTPDK4IDH2
SCHEMBL31379922 0.80 NAMPT (0.41) GRM1GRM5NAMPTPDK4IDH2
SCHEMBL31379870 0.80 GRM5 (0.42) GRM1GRM5NAMPTPDK4JAK2
SCHEMBL31379931 0.80 GRM1 (0.58) GRM1GRM5NAMPTPDK4TNK2
SCHEMBL31379871 0.79 JAK2 (0.43) GRM1GRM5NAMPTPDK4IDH2
SCHEMBL31379867 0.79 JAK2 (0.41) GRM1GRM5NAMPTPDK4IDH2
SCHEMBL31379887 0.78 SCN9A (0.42) GRM1GRM5NAMPTPDK4JAK2

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