SCHEMBL19178783

SCHEMBL19178783

CCc1nccc(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.57
PRKCD Q05655 3/20 0.54
CAMK2B Q13554 3/20 0.54
CAMK2G Q13555 3/20 0.54
NEK4 P51957 2/20 0.54
CAMK2D Q13557 2/20 0.54
HIPK2 Q9H2X6 2/20 0.54
MAP3K20 Q9NYL2 2/20 0.54
MAP4K5 Q9Y4K4 2/20 0.54
EEF2K O00418 1/20 0.54
MARK3 P27448 1/20 0.54
AXL P30530 1/20 0.54
BCL6 P41182 1/20 0.54
PRKAA1 Q13131 1/20 0.54
MARK2 Q7KZI7 1/20 0.54
PIM3 Q86V86 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
AURKB Q96GD4 2/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 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
SCHEMBL19179161 0.94 MCL1 (0.56) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19178652 0.94 MCL1 (0.56) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19180507 0.91 MCL1 (0.55) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19180604 0.89 MCL1 (0.56) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL4162146 0.89 MCL1 (0.73) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19178524 0.88 MCL1 (0.56) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19178815 0.88 MCL1 (0.54) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19180534 0.87 MCL1 (0.54) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19178722 0.87 MCL1 (0.54) MCL1PRKCDCAMK2BCAMK2GNEK4
SCHEMBL19178796 0.86 MCL1 (0.53) MCL1PRKCDCAMK2BCAMK2GNEK4

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