SCHEMBL22468888

SCHEMBL22468888

CCC(C)(C)Oc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.71
▸ MTOR P42345 15/20 0.71
▸ PIK3CA P42336 13/20 0.71
▸ ATR Q13535 11/20 0.71
▸ PIK3CD O00329 1/20 0.71
▸ PIK3CB P42338 1/20 0.71
▸ PIK3CG P48736 1/20 0.71
▸ PRKDC P78527 1/20 0.71
▸ KCNH2 Q12809 1/20 0.65

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
SCHEMBL18318389 0.83 ATM (0.68) ATMMTORPIK3CAATRPIK3CD
SCHEMBL30410610 0.83 ATM (1.00) ATMMTORPIK3CAATRPIK3CD
SCHEMBL29355614 0.83 ATM (1.00) ATMMTORPIK3CAATRPIK3CD
SCHEMBL17246483 0.83 ATM (1.00) ATMMTORPIK3CAATRPIK3CD
SCHEMBL17246146 0.83 ATM (1.00) ATMMTORPIK3CAATRPIK3CD
SCHEMBL17242505 0.82 ATM (1.00) ATMMTORPIK3CAATRPIK3CD
SCHEMBL18318387 0.82 ATM (0.76) ATMMTORPIK3CAATRPIK3CD
SCHEMBL17242511 0.82 ATM (1.00) ATMMTORPIK3CAATRPIK3CD
SCHEMBL17245474 0.82 ATM (0.78) ATMMTORPIK3CAATRPIK3CD
SCHEMBL19436353 0.82 ATM (1.00) ATMMTORPIK3CAATRPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198066-A1 COMPOSITIONS AND METHODS FOR ENHANCING CANCER IMMUNE CHECKPOINT THERAPY DUKE UNIVERSITY (US) 2020-10-01 — — WO claimed
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