SCHEMBL28693022

SCHEMBL28693022

O=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.51
▸ APBA1 Q02410 2/20 0.51
▸ STAT3 P40763 2/20 0.50
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MCL1 Q07820 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SAE1 Q9UBE0 2/20 0.47
▸ UBA2 Q9UBT2 2/20 0.47
▸ TACR3 P29371 1/20 0.46

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
SCHEMBL28673422 0.89 MEN1 (0.59) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28681436 0.89 STAT3 (0.61) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28673399 0.88 MEN1 (0.58) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28695985 0.87 STAT3 (0.55) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28699068 0.87 STAT3 (0.54) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28683183 0.87 CHEK1 (0.58) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28699093 0.85 CTDSP1 (0.62) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28679409 0.84 STAT3 (0.54) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28931754 0.84 MEN1 (0.59) CACNA1BAPBA1STAT3CTDSP1L3MBTL1
SCHEMBL28683197 0.84 STAT3 (0.51) CACNA1BAPBA1STAT3CTDSP1L3MBTL1

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
CN-113747920-A Immune checkpoint inhibitor combination therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-12-03 — — CN disclosed
CN-112703001-A Combination cancer therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-04-23 — — CN disclosed
Send feedback