SCHEMBL19858951

SCHEMBL19858951

COC(CC(C#N)C(=O)O)OC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL24262370 0.83
SCHEMBL9743398 0.82 SMN1; SMN2 (0.32)
SCHEMBL1935146 0.80 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL1305300 0.79 SLC1A2 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL19858945 0.79 MEN1 (0.39)
SCHEMBL26908708 0.79
SCHEMBL9018972 0.76 NPC1 (0.42) NPC1
SCHEMBL15280 0.76 RNPEP (0.44) SLC1A3SLC1A2
SCHEMBL3402119 0.72 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL10511072 0.72 SLC1A1 (0.37) NPC1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472169-B1 METHOD OF MANUFACTURING 4-CHLORO-7H-PYRROLO[2,3-d]PYRIMIDINE SIEGFRIED NANTONG PHARMACEUTICALS CO LTD (CN) 2023-04-19 EP claimed
EP-3472169-A1 METHOD OF MANUFACTURING 4-CHLORO-7H-PYRROLO[2,3-d]PYRIMIDINE Siegfried (Nantong) Pharmaceuticals Co. Ltd. (CN) 2019-04-24 EP disclosed
WO-2018029641-A1 METHOD OF MANUFACTURING 4-CHLORO-7H-PYRROLO[2,3-d]PYRIMIDINE SIEGFRIED (NANTONG) PHARMACEUTICALS CO. LTD. (CN) 2018-02-15 WO disclosed