SCHEMBL2489798

SCHEMBL2489798

CCC(=O)N1CCN(c2cnc(N)c(-c3nnc(-c4ccc(CNC)cc4)o3)n2)CC1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.53

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
SCHEMBL617013 1.00 ATR (0.53) ATR
SCHEMBL616616 1.00 ATR (0.53) ATR
SCHEMBL616478 0.90 ATR (0.53) ATR
SCHEMBL10289496 0.90 ATR (0.53) ATR
SCHEMBL10255420 0.86 ATR (0.41) ATR
SCHEMBL10255414 0.86 ATR (0.41) ATR
SCHEMBL617642 0.85 ATR (0.54) ATR
SCHEMBL618452 0.83 ATR (0.50) ATR
SCHEMBL615732 0.81 ATR (0.51) ATR
SCHEMBL10266120 0.81 ATR (0.51) 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-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 EP disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 WO disclosed