SCHEMBL29678426

SCHEMBL29678426

C[C@@H]1COCCN1c1cc(CO)c2ccn(COCC[Si](C)(C)C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.51
▸ ATRIP Q8WXE1 1/20 0.51
▸ MTOR P42345 17/20 0.41
▸ FECH P22830 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ RICTOR Q6R327 1/20 0.41
▸ RPTOR Q8N122 1/20 0.41
▸ MAPKAP1 Q9BPZ7 1/20 0.41
▸ MLST8 Q9BVC4 1/20 0.41

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
SCHEMBL23780785 1.00 ATR (0.51) ATRATRIPMTORFECHPIK3R1
SCHEMBL23780784 1.00 ATR (0.51) ATRATRIPMTORFECHPIK3R1
SCHEMBL23780781 0.91 ATR (0.51) ATRATRIPMTOR
SCHEMBL29678485 0.91 ATR (0.51) ATRATRIPMTOR
SCHEMBL23780779 0.91 ATR (0.51) ATRATRIPMTOR
SCHEMBL29678436 0.88 ATR (0.49) ATRATRIPMTORPIK3CA
SCHEMBL23780759 0.88 ATR (0.49) ATRATRIPMTORPIK3CA
SCHEMBL23780760 0.88 ATR (0.49) ATRATRIPMTORPIK3CA
SCHEMBL25791130 0.87 ATR (0.49) ATRATRIPMTOR
SCHEMBL23780755 0.86 ATR (0.48) ATRATRIPMTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174292-B Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2024-06-18 — — CN disclosed
EP-4003993-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS Repare Therapeutics Inc. (CA) 2022-06-01 — — EP disclosed
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