SCHEMBL22758458

SCHEMBL22758458

CCOc1cncc(-c2ccc(C)c(C)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
PIM3 Q86V86 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
NPC1 O15118 2/20 0.48
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
CTPS1 P17812 8/20 0.42
CYP11B2 P19099 2/20 0.41
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
DYRK1A Q13627 2/20 0.41
CYP11B1 P15538 1/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL21044194 0.87 PIM2 (0.52) PIM1PIM3PIM2NPC1CTPS1
SCHEMBL4907728 0.83 PIM1 (0.46) PIM1PIM3PIM2NPC1S1PR1
SCHEMBL24088660 0.83 NEK2 (0.46) PIM1PIM3PIM2NPC1CTPS1
SCHEMBL22490831 0.81 CTPS1 (0.44) PIM1PIM3PIM2S1PR1CTPS1
SCHEMBL15460378 0.80 NPC1 (0.58) NPC1CYP11B2CYP11B1RAB9ACTSK
SCHEMBL21392200 0.79 PIM3 (0.45) PIM1PIM3PIM2NPC1CTPS1
SCHEMBL21044410 0.78 PIM1 (0.51) PIM1PIM3PIM2NPC1CTPS1
SCHEMBL21373817 0.77 PIM2 (0.51) PIM1PIM3PIM2NPC1CTPS1
SCHEMBL21044419 0.77 PIM2 (0.51) PIM1PIM3PIM2CTPS1CYP11B2
SCHEMBL21373826 0.76 PIM1 (0.50) PIM1PIM3PIM2CTPS1CYP11B2

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