SCHEMBL19178686

SCHEMBL19178686

Cc1cc(OC(C)C)ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.60
PRKCD Q05655 4/20 0.50
CAMK2B Q13554 4/20 0.50
CAMK2G Q13555 4/20 0.50
AURKB Q96GD4 3/20 0.50
NEK4 P51957 3/20 0.47
CAMK2D Q13557 3/20 0.47
HIPK2 Q9H2X6 3/20 0.47
MAP3K20 Q9NYL2 3/20 0.47
MAP4K5 Q9Y4K4 3/20 0.47
MARK3 P27448 2/20 0.47
AXL P30530 2/20 0.47
MARK2 Q7KZI7 2/20 0.47
PIM3 Q86V86 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
MAP4K2 Q12851 2/20 0.47
CDC42BPA Q5VT25 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
HIPK4 Q8NE63 2/20 0.47
SRPK1 Q96SB4 2/20 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
SCHEMBL19180408 0.90 MCL1 (0.60) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19180652 0.90 MCL1 (0.60) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19180419 0.89 MCL1 (0.74) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL4165684 0.88 MCL1 (0.78) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19180409 0.88 MCL1 (0.64) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19179135 0.88 MCL1 (0.54) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19179316 0.87 MCL1 (0.62) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19179194 0.87 MCL1 (0.65) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19179176 0.87 MCL1 (0.62) MCL1PRKCDCAMK2BCAMK2GAURKB
SCHEMBL19178698 0.87 MCL1 (0.64) MCL1PRKCDCAMK2BCAMK2GAURKB

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-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP claimed