SCHEMBL29217575

SCHEMBL29217575

CC(C)c1c(=O)n(C)n2cnc3ccc(-c4ccc(OCCCN(C)C)c(F)c4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.46
▸ PIK3CA P42336 13/20 0.41
▸ MTOR P42345 12/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PRKDC P78527 2/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ ATR Q13535 2/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL30012475 1.00 ATM (0.46) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL29217574 0.89 ATM (0.44) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL30011901 0.89 ATM (0.44) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL30012580 0.86 ATM (0.62) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL30012525 0.85 ATM (0.48) ATMPIK3CAMTORATR
SCHEMBL29217588 0.74 ATM (0.48) ATMPIK3CAMTORPIK3CDATR
SCHEMBL30012314 0.74 ATM (0.48) ATMPIK3CAMTORPIK3CDATR
SCHEMBL30011979 0.72 ATM (0.63) ATMPIK3CAMTORATR
SCHEMBL30011699 0.71 ATM (0.54) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL30012478 0.71 ATM (0.55) ATMPIK3CAMTORPIK3CDPIK3CB

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-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 — — CN disclosed
CN-114026097-A Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2022-02-08 — — CN disclosed
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