SCHEMBL21513286

SCHEMBL21513286

CN1C(=O)C2(CC2)c2c1cnc1ccc(-c3ccc4c(ccc(=O)n4C)c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 9/20 0.45
▸ PRKDC P78527 4/20 0.45
▸ MTOR P42345 9/20 0.38
▸ PIK3CA P42336 12/20 0.37
▸ PIK3C2A O00443 1/20 0.37
▸ PIK3C2B O00750 1/20 0.37
▸ BRPF1 P55201 2/20 0.36
▸ ATR Q13535 5/20 0.36
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ SERPINA2 P20848 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
SCHEMBL29968839 1.00 ATM (0.45) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL29968542 0.82 PRKDC (0.45) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL21513499 0.82 PRKDC (0.45) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL21513256 0.81 NPC1 (0.45) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL29968579 0.81 MTOR (0.49) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL21513255 0.81 MTOR (0.49) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL29968928 0.81 NPC1 (0.45) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL21513498 0.81 ATM (0.46) ATMPRKDCMTORPIK3CAATR
SCHEMBL21513497 0.81 ATM (0.42) ATMPRKDCMTORPIK3CAPIK3C2A
SCHEMBL29969092 0.81 ATM (0.46) ATMPRKDCMTORPIK3CAATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
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