SCHEMBL29923359

SCHEMBL29923359

Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 1.00
PRKDC P78527 1/20 0.68

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
SCHEMBL2486708 1.00 ATR (1.00) ATRPRKDC
SCHEMBL2486830 0.91 ATR (1.00) ATRPRKDC
SCHEMBL2482176 0.90 ATR (1.00) ATRPRKDC
SCHEMBL2481999 0.89 ATR (1.00) ATRPRKDC
SCHEMBL2508896 0.89 ATR (1.00) ATRPRKDC
SCHEMBL20433085 0.89 ATR (0.80) ATRPRKDC
SCHEMBL11909372 0.87 ATR (0.77) ATR
SCHEMBL2483214 0.86 ATR (1.00) ATRPRKDC
SCHEMBL3059319 0.86 ATR (1.00) ATRPRKDC
SCHEMBL2482232 0.85 ATR (1.00) ATRPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed