SCHEMBL1664050

SCHEMBL1664050

O=C(O)Cn1ccc2cc(Nc3ccc(-n4ccc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
ROCK2 O75116 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
EPHX2 P34913 1/20 0.38
STAT6 P42226 2/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 2/20 0.37
NTSR1 P30989 1/20 0.37
TNIK Q9UKE5 1/20 0.37
PIN1 Q13526 1/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CDK2 P24941 2/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK6 Q00534 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL6126370 0.91 DHODH (0.39) DHODHEPHX2STAT6KMT2ASYK
SCHEMBL1664861 0.89 EPHX2 (0.47) DHODHITGB3ITGA2BEPHX2STAT6
SCHEMBL1664054 0.89 TNIK (0.42) DHODHROCK2ITGB3ITGA2BEPHX2
SCHEMBL1664695 0.87 ATM (0.38) DHODHEPHX2KMT2ASYKCDK4
SCHEMBL1666772 0.86 ROCK2 (0.42) ROCK2ITGB3ITGA2BSTAT6SYK
SCHEMBL1666717 0.85 KDM4E (0.39) DHODHEPHX2NTSR1MAPTLMNA
SCHEMBL1665019 0.83 TNIK (0.41) DHODHEPHX2SYKTNIKMAPT
SCHEMBL8775930 0.81 PIN1 (0.42) DHODHEPHX2KMT2ATNIKPIN1
SCHEMBL1665371 0.81 ALOX5 (0.42) DHODHEPHX2KMT2AMAPTUSP2
SCHEMBL1665971 0.80 JAK2 (0.41) KMT2ATNIKMAPTALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed