SCHEMBL29081206

SCHEMBL29081206

CC1CC=C(c2cnc3[nH]ncc3c2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ PIK3C3 Q8NEB9 3/20 0.39
▸ PIK3CD O00329 3/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ DDR1 Q08345 2/20 0.35
▸ ACACB O00763 5/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33

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
SCHEMBL30551259 0.85 PIK3CD (0.46) PIK3CD
SCHEMBL25322160 0.85 PIK3CD (0.46) PIK3CD
SCHEMBL29477676 0.85 PIK3CD (0.46) PIK3CD
SCHEMBL24365179 0.85 PIK3CD (0.46) PIK3CD
SCHEMBL29477605 0.83 PIK3CD (0.41) NAMPTPIK3CDABL1ACACBIDO1
SCHEMBL24365687 0.83 PIK3CD (0.41) NAMPTPIK3CDABL1ACACBIDO1
SCHEMBL25323411 0.81 PIK3CD (0.36) PIK3CDPIK3CA
SCHEMBL25323407 0.81 PIK3CD (0.36) PIK3CDPIK3CA
SCHEMBL30551038 0.81 PIK3CD (0.36) PIK3CDPIK3CA
SCHEMBL24365203 0.81 ELANE (0.34) PIK3CDABL1PIK3CAPIK3CG

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-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 — — CN disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP disclosed
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