SCHEMBL5885440

SCHEMBL5885440

COc1ccc(-c2nc3c[c]ccc3nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK14 Q16539 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ADORA1 P30542 1/20 0.43
HPGD P15428 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6639468 0.84 PDGFRB (0.51) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL6643284 0.78 MAPK1 (0.52) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL30696080 0.78 KDM4E (0.92) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL6339578 0.78 KDM4E (0.92) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL17184372 0.77 MAPK14 (0.51) KDM4EL3MBTL1LMNATDP1MAPK14
SCHEMBL15987437 0.77 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL21852751 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL15056743 0.75 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL2867767 0.75 MAPK14 (0.69) ALDH1A1KDM4EL3MBTL1LMNANPSR1
SCHEMBL193961 0.74 KMT2A (0.34) ALDH1A1KDM4EL3MBTL1LMNAKMT2A

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-7115617-B2 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed