SCHEMBL22758459

SCHEMBL22758459

CC(C)c1ccc(-c2cncc(C3CC3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 4/20 0.39
KDM5B Q9UGL1 1/20 0.38
PIM1 P11309 5/20 0.37
PIM2 Q9P1W9 4/20 0.37
PIM3 Q86V86 4/20 0.37
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
DGAT1 O75907 3/20 0.33
FPR2 P25090 3/20 0.33
NOTUM Q6P988 2/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL24721062 0.82 KDM5B (0.46) CTPS1KDM5BGSK3BDYRK1ADGAT1
SCHEMBL22758457 0.80 CTPS1 (0.41) CTPS1PIM1PIM2PIM3GSK3B
SCHEMBL21392091 0.77 MTOR (0.41) CTPS1PIM1PIM2PIM3DGAT1
SCHEMBL21711155 0.76 JAK2 (0.33) PIM1PIM2PIM3
SCHEMBL24807007 0.73 DGAT1 (0.45) CTPS1DGAT1NOTUMCHEK1
SCHEMBL23600961 0.71 NOTUM (0.44) KDM5BPIM1PIM2PIM3DGAT1
SCHEMBL888893 0.71 CHRNA7 (0.36)
SCHEMBL13728633 0.69 CYP2A6 (0.51)
SCHEMBL14242977 0.69 CHRNA7 (0.43)
SCHEMBL15784442 0.69 CHRNA7 (0.34)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133721-A1 COMBINATIONS OF CTPS1 INHIBITOR WITH IAP INHIBITOR FOR USE IN THE TREATMENT OF CANCER STEP PHARMA S.A.S. (FR) 2024-06-27 WO disclosed
WO-2024133730-A1 CTPS1 INHIBITORS FOR USE IN THE TREATMENT OF CTPS2 DEFICIENT CANCER STEP PHARMA S.A.S. (FR) 2024-06-27 WO disclosed
WO-2023166076-A1 COMBINATIONS OF CTPS1 AND BCL2 INHIBITORS FOR CANCER STEP PHARMA S.A.S. (FR) 2023-09-07 WO disclosed
WO-2023166080-A1 COMBINATION TREATMENTS COMPRISING A CTPS1 INHIBITOR AND A WEE1 INHIBITOR STEP PHARMA S.A.S. (FR) 2023-09-07 WO disclosed
WO-2023166077-A1 COMBINATION OF A CTPS1 INHIBITOR AND A ATR INHIBITOR IN CANCER THERAPY STEP PHARMA S.A.S. (FR) 2023-09-07 WO disclosed
WO-2023166078-A1 COMBINATION TREATMENTS COMPRISING A CTPS1 INHIBITOR AND A CHEK1 INHIBITOR STEP PHARMA S.A.S. (FR) 2023-09-07 WO disclosed
WO-2020245664-A1 N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES STEP PHARMA S.A.S. (FR) 2020-12-10 WO disclosed