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Sugi Predict / Compounds / SCHEMBL21263166

SCHEMBL21263166

SCHEMBL21263166

Cc1nnc(C)n1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOCC2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 18/20 1.00
▸ PDCD1 Q15116 2/20 0.62
▸ CD274 Q9NZQ7 2/20 0.62
▸ CHEK1 O14757 1/20 0.58
▸ ATRIP Q8WXE1 1/20 0.58
▸ MTOR P42345 1/20 0.54

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
SCHEMBL21263104 1.00 ATR (1.00) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL21263102 0.89 ATR (0.80) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL21263199 0.89 ATR (0.80) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL21263161 0.88 ATR (0.79) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL21263098 0.88 ATR (0.79) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL21263091 0.87 ATR (1.00) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL22810783 0.87 ATR (1.00) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL24075356 0.83 ATR (0.72) ATRCHEK1
SCHEMBL25624189 0.82 PDCD1 (0.71) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL21263127 0.81 ATR (1.00) ATRPDCD1CD274CHEK1MTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753937-A1 ATR INHIBITOR AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT COMPANY, LTD. (CN) 2020-12-23 — — EP disclosed
WO-2019154365-A1 ATR INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2019-08-15 — — WO disclosed