SCHEMBL29923601

SCHEMBL29923601

COC1CN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)C1

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 0.65

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
SCHEMBL2484278 1.00 ATR (1.00) ATRPRKDC
SCHEMBL2485386 0.91 ATR (1.00) ATRPRKDC
SCHEMBL2486830 0.85 ATR (1.00) ATRPRKDC
SCHEMBL13138646 0.84 ATR (1.00) ATR
SCHEMBL2484696 0.84 ATR (1.00) ATR
SCHEMBL2508896 0.84 ATR (1.00) ATRPRKDC
SCHEMBL3063773 0.84 ATR (1.00) ATR
SCHEMBL20283905 0.83 ATR (0.72) ATRPRKDC
SCHEMBL16420792 0.83 ATR (0.70) ATR
SCHEMBL2481999 0.83 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