SCHEMBL26214529

SCHEMBL26214529

CCS(=O)(=O)Nc1nccc(C2(C)CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 6/20 0.41
▸ PDE2A O00408 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL22758565 0.85 CTPS1 (0.37) CTPS1PDE2ANPSR1MAPTCYP2C9
SCHEMBL26324281 0.84 CTPS1 (0.41) CTPS1NPSR1EGFRRORCMAPT
SCHEMBL22758519 0.84 CTPS1 (0.50) CTPS1
SCHEMBL22758486 0.73 CTPS1 (0.45) CTPS1
SCHEMBL22758537 0.72 CTPS1 (0.46) CTPS1
SCHEMBL22762486 0.72 CTPS1 (0.40) CTPS1NPSR1RORCMAPTCYP2C9
SCHEMBL21392181 0.66 CTPS1 (0.48) CTPS1
SCHEMBL14297823 0.65 AURKA (0.48) MAPTLMNA
SCHEMBL22758491 0.63 CTPS1 (0.36) CTPS1PDE2AEGFR
SCHEMBL21387725 0.62 CTPS1 (0.44) CTPS1NPSR1MAPTCYP2C9

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 4 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-2023166076-A1 COMBINATIONS OF CTPS1 AND BCL2 INHIBITORS FOR CANCER 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
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