SCHEMBL13346207

SCHEMBL13346207

CNCc1ccc(-c2nnc(-c3nc(-c4ccc(SC5CCOC5)cc4)cnc3C)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 19/20 0.53
▸ MTOR P42345 1/20 0.33

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
SCHEMBL13346177 0.95 ATR (0.51) ATR
SCHEMBL13347155 0.82 ATR (0.52) ATR
SCHEMBL20433601 0.81 ATR (0.53) ATR
SCHEMBL19672753 0.80 ATR (0.60) ATR
SCHEMBL19672698 0.79 ATR (0.55) ATR
SCHEMBL20433577 0.79 ATR (0.52) ATR
SCHEMBL20433393 0.77 ATR (0.56) ATR
SCHEMBL20433187 0.77 ATR (0.43) ATRMTOR
SCHEMBL13346030 0.74 ATR (0.52) ATR
SCHEMBL19672750 0.74 ATR (0.57) 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
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — WO disclosed
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