SCHEMBL4014260

SCHEMBL4014260

CN1CCN(CCCNC(=O)c2cccc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.68
EGFR P00533 1/20 0.53
FLT3 P36888 1/20 0.49

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 0.93 ATR (0.76) ATR
SCHEMBL4163487 0.92 ATR (0.68) ATR
SCHEMBL4443019 0.92 ATR (0.69) ATR
SCHEMBL4013029 0.87 ATR (0.73) ATR
SCHEMBL4443884 0.85 ATR (0.70) ATRFLT3
SCHEMBL4450649 0.83 ATR (0.68) ATREGFR
SCHEMBL4445355 0.83 ATR (0.59) ATREGFR
SCHEMBL4439513 0.83 ATR (0.81) ATREGFR
SCHEMBL2481992 0.81 ATR (1.00) ATR
SCHEMBL4013364 0.80 ATR (0.59) 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 2 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