SCHEMBL1663041

SCHEMBL1663041

Nc1ccc(-c2n[nH]c3ccc(N)cc23)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
GSK3B P49841 1/20 0.44
KIT P10721 2/20 0.43
AURKA O14965 1/20 0.43
PIM1 P11309 6/20 0.42
PIM2 Q9P1W9 1/20 0.42
CLK2 P49760 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK3 P49761 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
JAK2 O60674 2/20 0.38
PDPK1 O15530 1/20 0.38
ITK Q08881 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
SCHEMBL12193715 0.92 KIT (0.49) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL22445936 0.88 PIM1 (0.53) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL12193576 0.79 TRPA1 (0.54) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL2469031 0.79 AXL (0.55) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL1663211 0.78 AXL (0.60) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL17982317 0.77 HTR2A (0.49) HTR2APIM1CLK2DYRK1AMAPK1
Hydrochloric Acid SCHEMBL27750634 0.77 AXL (0.54) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL2473158 0.76 AXL (0.52) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL7571499 0.75 GSK3B (0.51) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL29644051 0.75 GSK3B (0.51) AXLHTR2AHTR2CHTR2BGSK3B

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