SCHEMBL1664510

SCHEMBL1664510

O=C(NCc1ccccc1)c1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.54
MAPK10 P53779 9/20 0.50
MAPK8 P45983 7/20 0.50
MAPK11 Q15759 3/20 0.50
MAPK14 Q16539 3/20 0.50
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
STAT6 P42226 2/20 0.48
TNIK Q9UKE5 1/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 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
SCHEMBL1664511 0.93 SMO (0.54) SMOMAPK10MAPK8MAPK11MAPK14
SCHEMBL1665684 0.87 MAPK10 (0.48) SMOMAPK10MAPK8MAPK11MAPK14
SCHEMBL1663342 0.87 MAOB (0.52) SMOMAPK10MAPK8MAPK11MAPK14
SCHEMBL1666175 0.85 JAK2 (0.53) MAPK10MAPK8MAPK11MAPK14MAPK13
SCHEMBL1663344 0.83 MAOB (0.56) SMOMAPK10MAPK8MAPK11MAPK14
SCHEMBL11963718 0.83 NR3C1 (0.49) MAPK10MAPK8MAPK11MAPK14MAPK13
SCHEMBL1664474 0.81 TNIK (0.46) MAPK10MAPK8MAPK11MAPK14MAPK13
SCHEMBL1666461 0.81 MAPT (0.50) MAPK10MAPK8MAPK11MAPK14MAPK13
SCHEMBL1665685 0.80 MAPK14 (0.45) SMOMAPK10MAPK8MAPK11MAPK14
SCHEMBL1663875 0.80 TDP1 (0.47) MAPK10MAPK8MAPK11MAPK14MAPK13

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