SCHEMBL24752018

SCHEMBL24752018

COC(=O)CN(c1nc(SC)ncc1C=O)C1COC1C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 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
SCHEMBL30067204 1.00 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1
SCHEMBL30138039 0.85 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL24752660 0.85 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL30853071 0.84 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL24752020 0.84 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL30138073 0.84 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL30137942 0.84 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL1976614 0.82 KMT2A (0.36) ALDH1A1KMT2AMEN1
SCHEMBL24752670 0.71 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL30067139 0.71 ALDH1A1 (0.35) ALDH1A1KMT2A

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
CN-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 — — CN disclosed
WO-2022263472-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-22 — — WO disclosed
EP-4105218-A1 SUBSTITUTED PYRROLO[2,3-D] PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-21 — — EP disclosed
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