SCHEMBL17501528

SCHEMBL17501528

CC1COCCN1c1cc(-c2ccc(S(C)(=O)=O)cc2)c2ccnc(-c3ccn[nH]3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 1.00
▸ ATRIP Q8WXE1 20/20 1.00
▸ KCNH2 Q12809 1/20 0.77

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
SCHEMBL18110052 1.00 ATR (1.00) ATRATRIPKCNH2
SCHEMBL23837690 0.94 ATR (1.00) ATRATRIPKCNH2
SCHEMBL17527666 0.94 ATR (1.00) ATRATRIPKCNH2
SCHEMBL18110045 0.91 ATR (1.00) ATRATRIP
SCHEMBL17501355 0.91 ATR (1.00) ATRATRIP
SCHEMBL17501408 0.91 ATR (1.00) ATRATRIP
SCHEMBL20081844 0.89 ATR (1.00) ATRATRIP
SCHEMBL17501190 0.89 ATR (1.00) ATRATRIP
SCHEMBL29395599 0.89 ATR (1.00) ATRATRIP
SCHEMBL29395192 0.89 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177619-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2017-06-14 — — EP disclosed
WO-2016020320-A1 2-(MORPHOLIN-4-YL)-L,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-11 — — WO disclosed
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