SCHEMBL4008932

SCHEMBL4008932

Nc1ncc(-c2cccc(OCCCN3CCCCC3)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.58
ACHE P22303 2/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
LTA4H P09960 1/20 0.51
DRD3 P35462 2/20 0.50
EGFR P00533 1/20 0.49
DRD2 P14416 1/20 0.48

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
SCHEMBL4455054 0.82 ATR (0.76) ATR
SCHEMBL4564500 0.82 ATR (0.64) ATREGFR
SCHEMBL4016014 0.80 ATR (0.66) ATREGFR
SCHEMBL4006573 0.80 ATR (0.59) ATRACHEEGFR
SCHEMBL4009204 0.79 ATR (0.67) ATREGFR
SCHEMBL603781 0.77 DRD3 (0.78) ACHEDRD3DRD2
SCHEMBL4015034 0.76 ATR (0.72) ATREGFR
SCHEMBL5639861 0.76 ACHE (0.89) ACHELTA4HDRD3DRD2
SCHEMBL3979058 0.76 ATR (0.76) ATR
SCHEMBL4008289 0.75 ATR (0.73) ATREGFR

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-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed