SCHEMBL21513242

SCHEMBL21513242

CN(C)C1CCN(c2ncc(Br)cc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.44
▸ JAK3 P52333 3/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ OPRK1 P41145 6/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ HRH4 Q9H3N8 3/20 0.41
▸ MCHR1 Q99705 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.37

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
SCHEMBL29969803 1.00 JAK2 (0.44) JAK2JAK3JAK1OPRK1MAP4K4
SCHEMBL21494392 0.92 OPRK1 (0.47) JAK2JAK3JAK1OPRK1
SCHEMBL30866880 0.92 OPRK1 (0.47) JAK2JAK3JAK1OPRK1
SCHEMBL21513231 0.89 HRH3 (0.42) JAK2JAK3JAK1OPRK1HRH4
SCHEMBL4673381 0.86 MAP4K4 (0.43) JAK2JAK3JAK1OPRK1MAP4K4
SCHEMBL390676 0.85 OPRK1 (0.44) JAK2JAK3JAK1OPRK1HRH4
SCHEMBL390675 0.85 OPRK1 (0.44) JAK2JAK3JAK1OPRK1HRH4
SCHEMBL26130781 0.79 JAK2 (0.43) JAK2JAK3JAK1OPRK1HRH4
SCHEMBL29968129 0.79 JAK2 (0.43) JAK2JAK3JAK1OPRK1HRH4
SCHEMBL21513238 0.79 OPRK1 (0.48) OPRK1

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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