SCHEMBL6972970

SCHEMBL6972970

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)cc(CN3CCC(OC(=O)N4CCOCC4(C)c4cc(CN5CCOCC5)cc5c(=O)c(C(=O)NCc6ccc(Cl)cc6)nn(C)c45)CC3)c21.Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)cc(CN3CCCC(O)C3)c21.Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)cc(CN3CC[C@@H](O)C3)c21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.41
KCNH2 Q12809 7/20 0.38
ENPP2 Q13822 4/20 0.34
ABCB1 P08183 1/20 0.32
EZH2 Q15910 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6693414 0.86 POLA1 (0.51) POLA1KCNH2ENPP2ABCB1
SCHEMBL6692334 0.85 POLA1 (0.52) POLA1KCNH2ENPP2ABCB1MEN1
SCHEMBL6979490 0.82 POLA1 (0.53) POLA1KCNH2ENPP2ABCB1MEN1
SCHEMBL6694266 0.81 POLA1 (0.54) POLA1KCNH2ENPP2ABCB1MEN1
SCHEMBL6699742 0.78 POLA1 (0.59) POLA1KCNH2ABCB1MEN1KMT2A
SCHEMBL6694571 0.75 POLA1 (0.56) POLA1KCNH2ENPP2ABCB1MEN1
SCHEMBL6697394 0.75 POLA1 (0.59) POLA1KCNH2ABCB1MEN1KMT2A
SCHEMBL6980565 0.74 KCNH2 (0.44) POLA1KCNH2ENPP2EZH2
SCHEMBL6693410 0.73 POLA1 (0.54) POLA1KCNH2ENPP2ABCB1MEN1
SCHEMBL6699283 0.72 POLA1 (0.53) POLA1KCNH2ABCB1MEN1KMT2A

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-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP disclosed