SCHEMBL19178707

SCHEMBL19178707

O=C(O)Oc1[nH]c2c(Nc3ccncc3Cl)cccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.47
BCL2 P10415 3/20 0.47
BCL2L1 Q07817 2/20 0.47
ALB P02768 1/20 0.46
NEK4 P51957 2/20 0.44
PRKCD Q05655 2/20 0.44
CAMK2B Q13554 2/20 0.44
CAMK2G Q13555 2/20 0.44
CAMK2D Q13557 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
MAP3K20 Q9NYL2 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PHKG2 P15735 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 0.44
IRAK1 P51617 1/20 0.44

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
SCHEMBL19180605 0.89 MCL1 (0.49) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL4171523 0.89 MCL1 (0.60) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19178791 0.87 MCL1 (0.48) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19179115 0.86 MCL1 (0.45) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19178634 0.86 MCL1 (0.54) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19178846 0.84 MCL1 (0.55) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19178871 0.84 MCL1 (0.54) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19180459 0.83 MCL1 (0.63) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19180302 0.83 MCL1 (0.52) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19178551 0.83 MCL1 (0.49) MCL1BCL2BCL2L1ALBNEK4

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