SCHEMBL21513688

SCHEMBL21513688

CN1C(=O)C2(CN(C3CCCCC3)C2)c2c1cnc1cc(F)c(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CHRM1 P11229 7/20 0.34
▸ OPRL1 P41146 2/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL29969283 1.00 PRKDC (0.38) PRKDCIRAK4CHRM1OPRL1OPRM1
SCHEMBL29969709 0.99 PRKDC (0.39) PRKDCIRAK4CHRM1OPRL1OPRM1
SCHEMBL21513687 0.99 PRKDC (0.39) PRKDCIRAK4CHRM1OPRL1OPRM1
SCHEMBL21513681 0.97 PRKDC (0.39) PRKDCIRAK4CHRM1ATM
SCHEMBL29969799 0.97 PRKDC (0.39) PRKDCIRAK4CHRM1ATM
SCHEMBL21513694 0.95 IRAK4 (0.39) PRKDCIRAK4CHRM1OPRL1OPRM1
SCHEMBL29969934 0.91 IRAK4 (0.37) PRKDCIRAK4CHRM1OPRL1OPRM1
SCHEMBL26129474 0.91 IRAK4 (0.37) PRKDCIRAK4CHRM1OPRL1OPRM1
SCHEMBL29968693 0.90 IRAK4 (0.36) PRKDCIRAK4
SCHEMBL29968853 0.90 IRAK4 (0.42) PRKDCIRAK4CHRM1ATM

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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