SCHEMBL26130781

SCHEMBL26130781

CN(C)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.43
▸ JAK3 P52333 6/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ MCHR1 Q99705 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ WDR5 P61964 1/20 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
SCHEMBL29968129 1.00 JAK2 (0.43) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL29493167 0.93 ALDH1A1 (0.47) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL26130393 0.93 ALDH1A1 (0.47) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL22941968 0.90 ALDH1A1 (0.43) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL26131983 0.81 MAPT (0.51) ALDH1A1MAPK1HTTOPRK1
SCHEMBL29969961 0.81 MAPT (0.51) ALDH1A1MAPK1HTTOPRK1
SCHEMBL29969671 0.81 ALDH1A1 (0.40) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL26127971 0.81 ALDH1A1 (0.40) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL29968881 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTTOPRK1
SCHEMBL26131943 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTTOPRK1

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 4 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
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