SCHEMBL28672666

SCHEMBL28672666

O=C(Nc1ncc(-c2cccnc2)[nH]1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.68
▸ LMNA P02545 2/20 0.59
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ DHODH Q02127 1/20 0.58
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ TP53 P04637 1/20 0.54

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
SCHEMBL28931959 0.86 STAT3 (0.59) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL28690150 0.84 STAT3 (0.61) CYP2C9LMNAKMT2AMEN1MAPT
SCHEMBL28691066 0.83 CYP3A4 (0.68) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL28699070 0.82 MAPT (0.57) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL28681436 0.82 STAT3 (0.61) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL28673390 0.81 MCL1 (0.65) —
SCHEMBL28680454 0.81 TP53 (0.55) CYP2C9LMNAKMT2AMEN1MAPT
SCHEMBL28677540 0.78 MEN1 (0.54) CYP2C9LMNAKMT2AMEN1MAPT
SCHEMBL28695985 0.77 STAT3 (0.55) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1901939 0.76 CYP2C9 (0.69) CYP2C9LMNAKMT2AMEN1DHODH

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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