SCHEMBL16623137

SCHEMBL16623137

C=Cc1cnc(F)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GRM5 P41594 2/20 0.30
PDXK O00764 1/20 0.30
AGBL2 Q5U5Z8 1/20 0.30

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
SCHEMBL335743 0.79 SRC (0.35) PTGS1PTGS2AGBL2
SCHEMBL35528 0.78 PDXK (0.39) TP53TDP1PARP1HDAC8GRM5
SCHEMBL29419055 0.78 PDXK (0.39) TP53TDP1PARP1HDAC8GRM5
SCHEMBL20083747 0.75 PIK3CA (0.34) TP53TDP1PARP1HDAC8
SCHEMBL30938635 0.75 TDP1 (0.33) TP53TDP1PARP1HDAC8GRM5
SCHEMBL115734 0.75 PARP1 (0.33) PARP1
SCHEMBL26654238 0.75 NPC1 (0.40)
SCHEMBL29953419 0.75 PARP1 (0.33) PARP1
SCHEMBL29769000 0.72 TRPA1 (0.34) TP53TDP1PARP1
SCHEMBL19021560 0.71 PDGFRB (0.34) PARP1GRM5

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-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed