SCHEMBL1665971

SCHEMBL1665971

N#CCNC(=O)Cn1ccc2cc(NC(=O)c3ccc(-n4ccc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.41
JAK1 P23458 15/20 0.41
JAK3 P52333 14/20 0.41
TNIK Q9UKE5 1/20 0.39
HDAC1 Q13547 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL1665973 0.97 MEN1 (0.40) JAK2JAK1JAK3TNIKHDAC1
SCHEMBL1665019 0.88 TNIK (0.41) TNIKALDH1A1MAPTHPGDNPSR1
SCHEMBL8775930 0.86 PIN1 (0.42) TNIKALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1666719 0.85 MAPT (0.39) TNIKMEN1ALDH1A1MAPTHPGD
SCHEMBL1665021 0.84 ALDH1A1 (0.41) TNIKALDH1A1MAPTHPGDNPSR1
SCHEMBL1664054 0.84 TNIK (0.42) TNIKMEN1ALDH1A1MAPTKMT2A
SCHEMBL6126370 0.82 DHODH (0.39) TNIKALDH1A1MAPTKMT2A
SCHEMBL1666717 0.82 KDM4E (0.39) MAPT
SCHEMBL1664697 0.81 MAPT (0.41) TNIKMEN1ALDH1A1MAPTHPGD
SCHEMBL1664050 0.80 DHODH (0.42) JAK2TNIKALDH1A1MAPTKMT2A

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