SCHEMBL28698269

SCHEMBL28698269

O=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3ccsc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 19/20 0.52
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47

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
SCHEMBL28680477 0.88 MCL1 (0.57) MCL1
SCHEMBL28673390 0.87 MCL1 (0.65) MCL1
SCHEMBL28681436 0.85 STAT3 (0.61) MCL1CACNA1BAPBA1
SCHEMBL28696167 0.83 MCL1 (0.55) MCL1CACNA1BAPBA1
SCHEMBL28695985 0.82 STAT3 (0.55) MCL1CACNA1BAPBA1
SCHEMBL28699068 0.81 STAT3 (0.54) MCL1CACNA1BAPBA1
SCHEMBL28673399 0.81 MEN1 (0.58) MCL1CACNA1BAPBA1
SCHEMBL28683183 0.81 CHEK1 (0.58) MCL1CACNA1BAPBA1
SCHEMBL28672796 0.81 MCL1 (0.46) MCL1CACNA1BAPBA1
SCHEMBL1899741 0.80 STAT3 (0.73) MCL1

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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