SCHEMBL20433396

SCHEMBL20433396

CCCOc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.89

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
SCHEMBL2483377 0.94 ATR (1.00) ATR
SCHEMBL13138184 0.94 ATR (0.90) ATR
SCHEMBL2508834 0.93 ATR (0.85) ATR
SCHEMBL13138271 0.92 ATR (0.87) ATR
SCHEMBL13138241 0.89 ATR (0.82) ATR
SCHEMBL13138038 0.87 ATR (0.78) ATR
SCHEMBL2511633 0.87 ATR (1.00) ATR
SCHEMBL2486702 0.86 ATR (0.76) ATR
SCHEMBL2508892 0.85 ATR (0.81) ATR
SCHEMBL13137897 0.85 ATR (0.81) ATR

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 2 patents. 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
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed