SCHEMBL4046378

SCHEMBL4046378

CCn1c(-c2nc(-c3cn(C4CCNCC4)nc3C)cnc2N)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
RPS6KA5 O75582 2/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
GSK3B P49841 1/20 0.42
ROCK1 Q13464 1/20 0.42
FGFR1 P11362 4/20 0.40
FGFR2 P21802 4/20 0.40
FGFR3 P22607 4/20 0.40
AXL P30530 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MET P08581 2/20 0.37
KCNH2 Q12809 2/20 0.37

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
SCHEMBL13942249 0.90 EGFR (0.74) EGFRRPS6KA5PRKACARPS6KB1GSK3B
SCHEMBL3948649 0.85 EGFR (0.81) EGFRFGFR1FGFR2FGFR3
SCHEMBL4048149 0.84 EGFR (0.56) EGFRMET
SCHEMBL4044991 0.80 EGFR (0.58) EGFR
SCHEMBL2388358 0.79 AXL (0.58) AXLMETKCNH2
SCHEMBL30646606 0.77 KCNH2 (0.40) FGFR1FGFR2FGFR3AXLALDH1A1
SCHEMBL3948842 0.76 EGFR (0.67) EGFRFGFR1FGFR2FGFR3
SCHEMBL3956895 0.76 EGFR (0.67) EGFRPRKACARPS6KB1GSK3BROCK1
SCHEMBL4042780 0.75 EGFR (0.68) EGFRFGFR1FGFR2FGFR3
SCHEMBL3948199 0.75 EGFR (0.68) EGFRFGFR1FGFR2FGFR3

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