SCHEMBL13985294

SCHEMBL13985294

CCCC(=NNC(=N)N)c1ccc(NC(=O)Nc2ccc(/C=N/NC(=N)N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL13941363 0.90 TP53 (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13966280 0.90 TP53 (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13985157 0.90 TP53 (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13941574 0.84 TP53 (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13941359 0.84 PLK4 (0.49) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL13985291 0.84 TP53 (0.45) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL889783 0.83 PLK4 (0.47) MGLLESRRGFAAH
SCHEMBL13941566 0.82 PLK4 (0.47) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL13985372 0.82 RAB9A (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13985375 0.80 RAB9A (0.62) MAPTMEN1KMT2ANPC1RAB9A

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-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed