SCHEMBL4013364

SCHEMBL4013364

CN1CCCC(NC(=O)c2cccc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.59
EGFR P00533 1/20 0.53

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
SCHEMBL10212642 0.87 KDM4E (0.55)
SCHEMBL4445355 0.85 ATR (0.59) ATREGFR
SCHEMBL13942955 0.84 EGFR (0.58) ATREGFR
SCHEMBL4450649 0.80 ATR (0.68) ATREGFR
SCHEMBL4014260 0.80 ATR (0.68) ATREGFR
SCHEMBL4439513 0.80 ATR (0.81) ATREGFR
SCHEMBL4455054 0.79 ATR (0.76) ATR
SCHEMBL4006257 0.79 ATR (0.74) ATR
SCHEMBL4013029 0.78 ATR (0.73) ATR
SCHEMBL4163487 0.77 ATR (0.68) 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 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