SCHEMBL19178797

SCHEMBL19178797

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 4/20 0.57
CAMK2B Q13554 4/20 0.57
CAMK2G Q13555 4/20 0.57
AURKB Q96GD4 3/20 0.57
MCL1 Q07820 17/20 0.55
NEK4 P51957 3/20 0.43
CAMK2D Q13557 3/20 0.43
HIPK2 Q9H2X6 3/20 0.43
MAP3K20 Q9NYL2 3/20 0.43
MAP4K5 Q9Y4K4 3/20 0.43
MAP4K2 Q12851 2/20 0.43
CDC42BPA Q5VT25 2/20 0.43
TAOK1 Q7L7X3 2/20 0.43
HIPK4 Q8NE63 2/20 0.43
SRPK1 Q96SB4 2/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PHKG2 P15735 1/20 0.43

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
SCHEMBL19178836 0.93 PRKCD (0.56) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19180340 0.91 PRKCD (0.56) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL4154220 0.89 MCL1 (0.71) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL4154215 0.89 MCL1 (0.71) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19179194 0.88 MCL1 (0.65) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19178843 0.85 PRKCD (0.63) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19180419 0.84 MCL1 (0.74) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19178686 0.84 MCL1 (0.60) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19180409 0.84 MCL1 (0.64) PRKCDCAMK2BCAMK2GAURKBMCL1
SCHEMBL19180332 0.84 MCL1 (0.57) PRKCDCAMK2BCAMK2GAURKBMCL1

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