SCHEMBL4049196

SCHEMBL4049196

Nc1ncc(-c2cnn(CCN3CCOCC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.51
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR3 P22607 2/20 0.51
EGFR P00533 2/20 0.47
KDR P35968 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
SCD O00767 1/20 0.42
MAPK1 P28482 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL4044782 0.81 EGFR (0.61) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL4041097 0.80 EGFR (0.47) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL4047639 0.77 EGFR (0.44) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL4044231 0.77 EGFR (0.78) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL4049905 0.77 EGFR (0.64) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL4042032 0.75 EGFR (0.62) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL2680570 0.74 SLC2A1 (0.50) FGFR1FGFR2FGFR3KDRIKBKE
SCHEMBL16848370 0.73 PIM1 (0.52) FGFR1FGFR2FGFR3KDRIKBKE
SCHEMBL18781303 0.72 FGFR1 (0.53) ATRFGFR1FGFR2FGFR3EGFR
SCHEMBL4045589 0.72 EGFR (0.56) ATRFGFR1FGFR2FGFR3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed