SCHEMBL858905

SCHEMBL858905

COc1cccc(Nc2cccc3[nH]ccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.60
RET P07949 1/20 0.50
FBP1 P09467 1/20 0.48
PRKCB P05771 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46
ERBB2 P04626 1/20 0.46
PTK6 Q13882 1/20 0.46
NPC1 O15118 2/20 0.45
GRM4 Q14833 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
Ethoxycarbonyl Group SCHEMBL28168775 0.87 MAPK14 (0.52) MAPK14RETFBP1PRKCBMEN1
SCHEMBL31744572 0.83 PRKCB (0.60) MAPK14PRKCBMEN1KMT2AMAPT
SCHEMBL7993463 0.80 TNNI3K (0.60) FBP1MEN1KMT2AMAPTMAPK1
SCHEMBL2984223 0.79 RET (0.46) MAPK14RETMEN1KMT2AMAPK1
SCHEMBL27463226 0.78 MEN1 (0.59) MAPK14RETMEN1KMT2AMAPT
SCHEMBL1921497 0.78 MEN1 (0.62) MAPK14MEN1KMT2AMAPTMAPK1
SCHEMBL2986147 0.78 MAPK14 (0.57) MAPK14RETMAPK1TSHRERBB2
SCHEMBL4245668 0.78 MAPK14 (0.57) MAPK14RETMAPK1RAPGEF4GAK
SCHEMBL21257478 0.77 RAPGEF4 (0.46) MAPK14RETMAPK1RAPGEF4GRM4
SCHEMBL31744804 0.77 PRKCB (0.51) MAPK14FBP1PRKCBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed