SCHEMBL2464098

SCHEMBL2464098

Nc1ncc(C2=CC(C(=O)c3ccccc3)NCC2)nc1-c1nnc(-c2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.58

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
SCHEMBL2466403 0.93 ATR (0.60) ATR
SCHEMBL2467387 0.89 ATR (0.52) ATR
SCHEMBL2465838 0.86 ATR (0.53) ATR
SCHEMBL2464833 0.86 ATR (0.53) ATR
SCHEMBL2469766 0.85 ATR (0.53) ATR
SCHEMBL2462641 0.85 ATR (0.53) ATR
SCHEMBL2469310 0.82 ATR (0.50) ATR
SCHEMBL2465966 0.80 ATR (0.55) ATR
SCHEMBL617534 0.75 ATR (0.66) ATR
SCHEMBL614408 0.74 ATR (0.66) 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