SCHEMBL20433552

SCHEMBL20433552

CC(CCF)Sc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC5CCOC5)cc4F)o3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.47
ATM Q13315 1/20 0.43

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
SCHEMBL20433572 0.94 ATR (0.45) ATRATM
SCHEMBL20432997 0.93 ATR (0.47) ATRATM
SCHEMBL24681415 0.92 ATR (0.53) ATRATM
SCHEMBL19672695 0.92 ATR (0.53) ATRATM
SCHEMBL20433401 0.92 ATR (0.54) ATRATM
SCHEMBL19672697 0.87 ATR (0.47) ATRATM
SCHEMBL20433422 0.87 ATR (0.55) ATRATM
SCHEMBL19672803 0.87 ATR (0.46) ATRATM
SCHEMBL3042008 0.87 ATR (0.53) ATRATM
SCHEMBL3046231 0.87 ATR (0.53) ATRATM

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-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed