SCHEMBL16627405

SCHEMBL16627405

CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCCN(C)C)C(=O)CC3

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
WEE1 P30291 3/20 0.46
CNR2 P34972 2/20 0.46
KDR P35968 5/20 0.41
TEK Q02763 4/20 0.41
NPC1 O15118 1/20 0.38
CHEK1 O14757 1/20 0.38
SRC P12931 1/20 0.38
MYLK Q15746 1/20 0.37

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
SCHEMBL13637361 0.97 TP53 (0.64) TP53WEE1CNR2KDRTEK
SCHEMBL16454384 0.93 TP53 (0.66) TP53WEE1CNR2KDRTEK
SCHEMBL16454764 0.91 TP53 (0.61) TP53CNR2KDRTEKNPC1
SCHEMBL15848975 0.89 TP53 (0.66) TP53CNR2KDRTEKNPC1
SCHEMBL16625998 0.88 TP53 (0.62) TP53WEE1CNR2KDRTEK
SCHEMBL16120082 0.88 TP53 (0.67) TP53CNR2KDRTEKNPC1
SCHEMBL16454755 0.87 TP53 (0.60) TP53WEE1CNR2KDRTEK
SCHEMBL15848962 0.87 TP53 (0.60) TP53WEE1CNR2KDRTEK
SCHEMBL16454377 0.87 TP53 (0.66) TP53CNR2KDRTEKNPC1
SCHEMBL12608671 0.86 TP53 (0.51) TP53WEE1CNR2KDRTEK

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
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed