SCHEMBL31379871

SCHEMBL31379871

CC(C)(C)OC(=O)N1CC=C(c2nc(Nc3cccc(C(F)(F)F)c3)nc(-c3cccn3C(=O)OC(C)(C)C)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
JAK3 P52333 3/20 0.43
PTK2 Q05397 3/20 0.43
GRM5 P41594 4/20 0.41
GRM1 Q13255 4/20 0.41
SCN9A Q15858 2/20 0.40
PDK4 Q16654 1/20 0.40
ELANE P08246 2/20 0.40
SCN5A Q14524 1/20 0.40
NAMPT P43490 1/20 0.40
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
IDH2 P48735 1/20 0.39
SOS1 Q07889 1/20 0.38
MAPT P10636 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
SCHEMBL31379867 0.87 JAK2 (0.41) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379900 0.86 APP (0.48) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379912 0.85 SCN9A (0.45) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379870 0.84 GRM5 (0.42) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379922 0.84 NAMPT (0.41) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379894 0.83 NAMPT (0.41) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379891 0.82 SCN9A (0.46) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379887 0.81 SCN9A (0.42) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379932 0.81 PIK3CA (0.45) JAK2JAK3PTK2GRM5GRM1
SCHEMBL31379895 0.79 GRM1 (0.48) JAK2JAK3PTK2GRM5GRM1

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