SCHEMBL28673399

SCHEMBL28673399

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ CTDSP1 Q9GZU7 3/20 0.55
▸ STAT3 P40763 2/20 0.54
▸ KDM4E B2RXH2 6/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ POLB P06746 4/20 0.53
▸ CACNA1B Q00975 3/20 0.53
▸ APBA1 Q02410 3/20 0.53
▸ SAE1 Q9UBE0 3/20 0.53
▸ UBA2 Q9UBT2 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ UBE2I P63279 2/20 0.53
▸ THRB P10828 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL28681436 0.94 STAT3 (0.61) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28695985 0.92 STAT3 (0.55) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28699068 0.91 STAT3 (0.54) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28683183 0.91 CHEK1 (0.58) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28699093 0.90 CTDSP1 (0.62) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28679409 0.89 STAT3 (0.54) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28673422 0.89 MEN1 (0.59) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28693022 0.88 CACNA1B (0.51) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28683197 0.88 STAT3 (0.51) MEN1KMT2ACTDSP1STAT3KDM4E
SCHEMBL28690124 0.86 ALDH1A1 (0.58) MEN1KMT2ACTDSP1STAT3KDM4E

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
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