SCHEMBL31379880

SCHEMBL31379880

CN(C)c1cccc(Nc2nc(-c3ccccc3)cc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.56
JAK3 P52333 5/20 0.56
PTK2 Q05397 4/20 0.56
GPR119 Q8TDV5 3/20 0.43
HPGDS O60760 1/20 0.42
TGFBR1 P36897 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IGF1R P08069 1/20 0.41
HTT P42858 1/20 0.41
USP30 Q70CQ3 2/20 0.41
NAMPT P43490 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
SCHEMBL31379877 0.86 JAK3 (0.51) JAK2JAK3PTK2GPR119
SCHEMBL20551736 0.86 JAK2 (0.52) JAK2JAK3PTK2GPR119HPGDS
SCHEMBL31379913 0.85 GPR119 (0.51) JAK2JAK3PTK2GPR119HPGDS
SCHEMBL31379936 0.85 EGFR (0.44) JAK2JAK3PTK2GPR119KDM4E
SCHEMBL31379921 0.84 ALDH1A1 (0.48) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL31379876 0.83 GRM1 (0.48) JAK2JAK3PTK2NAMPT
SCHEMBL31379924 0.82 JAK2 (0.46) JAK2JAK3PTK2GPR119HPGDS
SCHEMBL31379898 0.82 SYK (0.44) JAK2JAK3PTK2GPR119HPGDS
SCHEMBL31379884 0.81 ALDH1A1 (0.47) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL31379910 0.81 JAK3 (0.51) JAK2JAK3PTK2GPR119HPGDS

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