SCHEMBL20482128

SCHEMBL20482128

Clc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.FC(F)(F)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.91
▸ ATRIP Q8WXE1 20/20 0.91

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
SCHEMBL30140435 0.95 ATR (1.00) ATRATRIP
SCHEMBL18110048 0.95 ATR (1.00) ATRATRIP
SCHEMBL30140407 0.93 ATR (1.00) ATRATRIP
SCHEMBL17527657 0.93 ATR (1.00) ATRATRIP
SCHEMBL20482430 0.92 ATR (0.76) ATRATRIP
SCHEMBL17527549 0.86 ATR (1.00) ATRATRIP
SCHEMBL30140497 0.86 ATR (1.00) ATRATRIP
SCHEMBL17501430 0.85 ATR (1.00) ATRATRIP
SCHEMBL17501526 0.84 ATR (1.00) ATRATRIP
SCHEMBL17501418 0.83 ATR (1.00) 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-2018153971-A1 COMBINATION OF ATR KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
Send feedback