SCHEMBL24680972

SCHEMBL24680972

CC(C)Sc1ccccc1-c1cnc(N)c(-c2nnc(C3=CCC=CC=C3)o2)n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.67

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
SCHEMBL3055175 0.81 ATR (1.00) ATR
SCHEMBL2483805 0.69 ATR (1.00) ATR
SCHEMBL17826141 0.69 ATR (0.69) ATR
SCHEMBL2485720 0.67 ATR (1.00) ATR
SCHEMBL13347151 0.66 ATR (0.78) ATR
SCHEMBL20738893 0.66 ATR (0.84) ATR
SCHEMBL13137941 0.65 ATR (1.00) ATR
SCHEMBL3049810 0.65 ATR (1.00) ATR
SCHEMBL13138050 0.64 ATR (1.00) ATR
SCHEMBL20433691 0.64 ATR (0.68) 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-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed