SCHEMBL4043236

SCHEMBL4043236

CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.79
ATR Q13535 15/20 0.59
MET P08581 2/20 0.53
PIK3CD O00329 1/20 0.52
KDR P35968 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
MTOR P42345 1/20 0.52
PIK3CG P48736 1/20 0.52
PRKDC P78527 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL3950078 0.89 EGFR (0.72) EGFRATRPIK3CDKDRPIK3CA
SCHEMBL4040666 0.89 EGFR (1.00) EGFRATRPRKDCATM
SCHEMBL4038019 0.85 EGFR (0.80) EGFRATRMETPRKDCATM
SCHEMBL4213635 0.80 EGFR (0.71) EGFRATRPRKDCATM
SCHEMBL4037269 0.80 EGFR (0.73) EGFRATRPRKDCATM
SCHEMBL4045565 0.78 EGFR (0.58) EGFRATRMETKDR
SCHEMBL4041430 0.78 EGFR (0.80) EGFRATR
SCHEMBL4041919 0.78 EGFR (0.79) EGFRATR
SCHEMBL4047011 0.77 EGFR (0.56) EGFRATRMETPIK3CDKDR
SCHEMBL4044231 0.77 EGFR (0.78) EGFRATRMET

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
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