SCHEMBL31379877

SCHEMBL31379877

CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.51
PTK2 Q05397 5/20 0.51
JAK2 O60674 4/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
IDH2 P48735 6/20 0.48
SYK P43405 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
P2RY14 Q15391 1/20 0.43

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
SCHEMBL31379936 0.88 EGFR (0.44) JAK3PTK2JAK2POLBMAPT
SCHEMBL31379898 0.87 SYK (0.44) JAK3PTK2JAK2IDH2SYK
SCHEMBL31379880 0.86 JAK2 (0.56) JAK3PTK2JAK2GPR119
SCHEMBL31379913 0.85 GPR119 (0.51) JAK3PTK2JAK2GPR119
SCHEMBL31379921 0.84 ALDH1A1 (0.48) JAK3PTK2JAK2
SCHEMBL31379895 0.83 GRM1 (0.48) JAK3PTK2JAK2IDH2
SCHEMBL31379924 0.82 JAK2 (0.46) JAK3PTK2JAK2SYKGPR119
SCHEMBL31379884 0.81 ALDH1A1 (0.47) JAK3PTK2JAK2MAPT
SCHEMBL31379910 0.81 JAK3 (0.51) JAK3PTK2JAK2GPR119
SCHEMBL31379866 0.78 IDH2 (0.56) POLBMAPTIDH2

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