SCHEMBL5287220

SCHEMBL5287220

c1cc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.52
FGFR2 P21802 5/20 0.52
FGFR3 P22607 5/20 0.52
KDR P35968 4/20 0.52
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHEK1 O14757 4/20 0.43
HPGD P15428 2/20 0.43
CDK7 P50613 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 2/20 0.42
AURKA O14965 5/20 0.41
AURKB Q96GD4 5/20 0.41
CDK1 P06493 4/20 0.41
CCNB1 P14635 4/20 0.41

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
SCHEMBL547038 0.80 FGFR1 (0.46) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL546253 0.79 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL8262963 0.77 FGFR1 (0.51) FGFR1FGFR2FGFR3KDRCHEK1
SCHEMBL11888560 0.77 FGFR1 (0.43) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL12027286 0.77 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL16070539 0.77 FGFR1 (0.87) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL30061324 0.76 SMN1; SMN2 (0.44) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL545872 0.76 SMN1; SMN2 (0.44) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL11037651 0.75 PARP1 (0.52) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL16070771 0.75 FGFR1 (0.87) FGFR1FGFR2FGFR3KDRJAK2

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-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 EP disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed