SCHEMBL17826189

SCHEMBL17826189

C=C(c1ccc(-c2cncc(-c3nnc(-c4cccc(N)n4)o3)n2)cc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.57

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
SCHEMBL16420601 0.87 ATR (0.74) ATR
SCHEMBL17826154 0.85 ATR (0.48) ATR
SCHEMBL17826108 0.84 ATR (0.46) ATR
SCHEMBL17826124 0.84 KDM4E (0.48) ATR
SCHEMBL17826139 0.84 ATR (0.45) ATR
SCHEMBL17826125 0.83 ATR (0.56) ATR
SCHEMBL17826188 0.83 ATR (0.42) ATR
SCHEMBL17826185 0.82 ATR (0.59) ATR
SCHEMBL17826131 0.82 ATR (0.53) ATR
SCHEMBL17826200 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365557-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed