SCHEMBL17527658

SCHEMBL17527658

CN(C(=O)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1)C(I)(I)I

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.84
▸ ATRIP Q8WXE1 20/20 0.84

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
SCHEMBL17501556 0.92 ATR (1.00) ATRATRIP
SCHEMBL17501507 0.86 ATR (1.00) ATRATRIP
SCHEMBL30140512 0.85 ATR (1.00) ATRATRIP
SCHEMBL17501233 0.85 ATR (1.00) ATRATRIP
SCHEMBL17501633 0.83 ATR (1.00) ATRATRIP
SCHEMBL18109996 0.83 ATR (1.00) ATRATRIP
SCHEMBL30140487 0.82 ATR (1.00) ATRATRIP
SCHEMBL17501613 0.82 ATR (1.00) ATRATRIP
SCHEMBL18109971 0.82 ATR (1.00) ATRATRIP
SCHEMBL20482519 0.81 ATR (0.91) ATRATRIP

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-2016020320-A1 2-(MORPHOLIN-4-YL)-L,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-11 — — WO disclosed
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