SCHEMBL1664653

SCHEMBL1664653

Cc1cc(Nc2ccc(Nc3ccc(NC(=O)c4cccn4C)cc3)cc2)ccc1N1CCC(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.51
PDE7A Q13946 4/20 0.47
GRM1 Q13255 1/20 0.43
EML4 Q9HC35 3/20 0.40
ALK Q9UM73 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 1/20 0.39
RET P07949 2/20 0.39
ROS1 P08922 2/20 0.39
FLT3 P36888 2/20 0.39
EGFR P00533 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1664657 0.93 HPGDS (0.51) HPGDSPDE7AGRM1NPC1RAB9A
SCHEMBL1664464 0.89 HPGDS (0.50) HPGDSPDE7AGRM1NPC1RAB9A
SCHEMBL1663209 0.87 HPGDS (0.51) HPGDSPDE7AGRM1NPC1RAB9A
SCHEMBL1664384 0.87 HPGDS (0.48) HPGDSGRM1EML4ALKKMT2A
SCHEMBL1664868 0.86 HPGDS (0.57) HPGDSPDE7ANPC1RAB9AEGFR
SCHEMBL1664452 0.86 HPGDS (0.48) HPGDSGRM1EML4ALKRET
SCHEMBL1665157 0.85 HPGDS (0.46) HPGDSPDE7AGRM1NPC1RAB9A
SCHEMBL1664466 0.84 HPGDS (0.48) HPGDSPDE7AGRM1NPC1RAB9A
SCHEMBL1663740 0.84 HPGDS (0.56) HPGDSPDE7AGRM1NPC1RAB9A
SCHEMBL1663743 0.83 HPGDS (0.54) HPGDSNPC1RAB9AKMT2A

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
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed