SCHEMBL19672750

SCHEMBL19672750

Nc1ncc(-c2ccc(SC3CCOCC3)cc2)nc1-c1nnc(-c2ccc(CNCCF)cc2)o1

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
SCHEMBL19672655 0.91 ATR (0.47) ATR
SCHEMBL20433393 0.90 ATR (0.56) ATR
SCHEMBL20433529 0.86 ATR (0.53) ATR
SCHEMBL20432988 0.86 ATR (0.46) ATR
SCHEMBL20433165 0.84 ATR (0.49) ATR
SCHEMBL3051818 0.84 ATR (0.50) ATR
SCHEMBL19672698 0.83 ATR (0.55) ATR
SCHEMBL20433601 0.82 ATR (0.53) ATR
SCHEMBL20433577 0.82 ATR (0.52) ATR
SCHEMBL19672616 0.82 ATR (0.46) 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
Send feedback