SCHEMBL4041097

SCHEMBL4041097

Nc1ncc(-c2cnn(CC3CCNCC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
ATR Q13535 14/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 2/20 0.45
FGFR4 P22455 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
PIM1 P11309 2/20 0.42
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL4047639 0.91 EGFR (0.44) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4042032 0.86 EGFR (0.62) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4049196 0.80 ATR (0.51) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045589 0.80 EGFR (0.56) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4044782 0.78 EGFR (0.61) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4044231 0.78 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4049905 0.77 EGFR (0.64) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045729 0.76 EGFR (0.60) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043542 0.75 EGFR (0.59) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043371 0.74 ATR (0.78) ATR

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