SCHEMBL29559178

SCHEMBL29559178

CN(C)CCCOc1ccc(-c2ccc3ncc4ccc(C5CCOCC5)n4c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 17/20 0.58
▸ PRKDC P78527 10/20 0.58
▸ ATR Q13535 12/20 0.44
▸ PIK3CB P42338 8/20 0.43
▸ MTOR P42345 5/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ ATRIP Q8WXE1 8/20 0.42
▸ LSS P48449 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
SCHEMBL21541830 1.00 ATM (0.58) ATMPRKDCATRPIK3CBMTOR
SCHEMBL29559109 0.88 ATM (0.63) ATMPRKDCATRPIK3CBMTOR
SCHEMBL21541883 0.88 ATM (0.63) ATMPRKDCATRPIK3CBMTOR
SCHEMBL21541794 0.87 ATM (0.62) ATMPRKDCATRPIK3CBMTOR
SCHEMBL30359526 0.87 ATM (0.62) ATMPRKDCATRPIK3CBMTOR
SCHEMBL21541879 0.84 PRKDC (0.81) ATMPRKDCATRPIK3CBMTOR
SCHEMBL30359521 0.84 PRKDC (0.81) ATMPRKDCATRPIK3CBMTOR
SCHEMBL23093848 0.82 ATM (0.61) ATMPRKDCATRPIK3CBMTOR
SCHEMBL21541760 0.79 PRKDC (0.73) ATMPRKDCATRPIK3CBMTOR
SCHEMBL21541772 0.76 PRKDC (0.77) ATMPRKDCATRPIK3CBMTOR

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
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP disclosed
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