SCHEMBL13666337

SCHEMBL13666337

Cc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDR P35968 1/20 0.47
TP53 P04637 3/20 0.46
HPD P32754 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 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
SCHEMBL13666358 0.94 MAPT (0.52) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666876 0.93 KDR (0.52) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666341 0.92 TP53 (0.48) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666413 0.92 MAPT (0.47) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666856 0.89 KDR (0.53) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666673 0.89 TP53 (0.49) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666412 0.88 TP53 (0.52) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666383 0.88 TP53 (0.48) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666677 0.88 KDR (0.46) MAPTNPC1RAB9AKDRTP53
SCHEMBL13666415 0.88 KDR (0.55) MAPTNPC1RAB9AKDRTP53

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-2009119776-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed