SCHEMBL17501580

SCHEMBL17501580

CN(C)C(=O)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.O=C(NC1CC1)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.81
▸ ATRIP Q8WXE1 20/20 0.81
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL20482247 0.95 ATR (0.72) ATRATRIP
SCHEMBL17527543 0.90 ATR (1.00) ATRATRIPKCNH2
SCHEMBL30140516 0.90 ATR (1.00) ATRATRIPKCNH2
SCHEMBL20482406 0.90 ATR (0.65) ATRATRIP
SCHEMBL18110036 0.88 ATR (1.00) ATRATRIP
SCHEMBL18109996 0.85 ATR (1.00) ATRATRIPKCNH2
SCHEMBL17501610 0.84 ATR (0.93) ATRATRIP
SCHEMBL18109971 0.83 ATR (1.00) ATRATRIP
SCHEMBL20081952 0.82 ATR (0.88) ATRATRIP
SCHEMBL23837748 0.80 ATR (0.85) ATRATRIPKCNH2

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 claimed
WO-2016020320-A1 2-(MORPHOLIN-4-YL)-L,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-11 — — WO claimed
Send feedback