SCHEMBL1666772

SCHEMBL1666772

O=C(O)Cn1ccc2cc(Nc3ccc(-n4ncc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
STAT6 P42226 2/20 0.39
SYK P43405 2/20 0.38
NTSR1 P30989 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MAPK10 P53779 4/20 0.38
MAPK8 P45983 3/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PIN1 Q13526 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CDK2 P24941 2/20 0.37
FGFR1 P11362 1/20 0.37
CCNA2 P20248 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL1666777 0.90 MAOB (0.44) ROCK2ITGB3ITGA2BMAPK10MAPK8
SCHEMBL1664050 0.86 DHODH (0.42) ROCK2STAT6SYKNTSR1ITGB3
SCHEMBL1665348 0.83 TNIK (0.42) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL1666178 0.83 MAPK10 (0.41) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL11963718 0.81 NR3C1 (0.49) STAT6SYKMAPK10MAPK8MAPK13
SCHEMBL6126370 0.80 DHODH (0.39) STAT6SYKNTSR1PIN1TNIK
SCHEMBL1665351 0.79 MAOB (0.42) ROCK2MAPK10MAPK8MAPK13MAPK12
SCHEMBL1664246 0.79 SYK (0.44) ROCK2STAT6SYKMAPK10MAPK8
SCHEMBL1664617 0.79 MAOB (0.45) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL1663875 0.79 TDP1 (0.47) MAPK10MAPK8MAPK13MAPK12MAPK11

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