SCHEMBL29947221

SCHEMBL29947221

CC1COCCN1c1ccncn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.50
▸ PIK3CD O00329 2/20 0.50
▸ ATR Q13535 10/20 0.48
▸ ATRIP Q8WXE1 7/20 0.48
▸ CHEK1 O14757 4/20 0.48
▸ PDCD1 Q15116 4/20 0.48
▸ CD274 Q9NZQ7 4/20 0.48
▸ MTOR P42345 1/20 0.44
▸ LRRK2 Q5S007 4/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43

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
SCHEMBL28958536 1.00 PIK3CA (0.50) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL30745619 0.98 PIK3CA (0.49) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL29525850 0.81 AURKA (0.42) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL29442179 0.80 ATR (0.55) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL28539901 0.80 ATR (0.55) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL2127456 0.80 ATR (0.55) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL28539899 0.80 ATR (0.55) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL26972646 0.79 GRM1 (0.40) —
SCHEMBL30629341 0.78 PIK3CD (0.58) PIK3CAPIK3CDATRATRIPCHEK1
SCHEMBL2528288 0.78 MTOR (0.45) PIK3CAMTORPIK3C3

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-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 — — CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 — — CN disclosed
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