SCHEMBL19672780

SCHEMBL19672780

CC(CCO)Sc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4F)o3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.56

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
SCHEMBL19672701 0.95 ATR (0.58) ATR
SCHEMBL19672700 0.92 ATR (0.58) ATR
SCHEMBL20433679 0.91 ATR (0.52) ATR
SCHEMBL19672728 0.91 ATR (0.67) ATR
SCHEMBL19672696 0.91 ATR (0.67) ATR
SCHEMBL19672703 0.90 ATR (0.48) ATR
SCHEMBL19672694 0.87 ATR (0.52) ATR
SCHEMBL20433563 0.87 ATR (0.55) ATR
SCHEMBL3059671 0.85 ATR (0.49) ATR
SCHEMBL29458691 0.85 ATR (0.49) 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
EP-2376485-B1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-12-06 — — EP disclosed
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