SCHEMBL4006573

SCHEMBL4006573

COc1cc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)ccc1OCCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.59
ACHE P22303 2/20 0.53
PRKDC P78527 1/20 0.50
ATM Q13315 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL4297778 0.93 ATR (0.58) ATRPRKDCATMEGFR
SCHEMBL3927916 0.90 ATR (0.48) ATR
SCHEMBL4009811 0.90 MCHR1 (0.49) ATR
SCHEMBL4012928 0.89 ATR (0.54) ATR
SCHEMBL4009857 0.87 MCHR1 (0.51) ATRACHE
SCHEMBL4004985 0.87 ATR (0.47) ATRPRKDCATM
SCHEMBL4008321 0.86 ATR (0.55) ATR
SCHEMBL13956736 0.84 EGFR (0.53) ATRPRKDCATMEGFR
SCHEMBL3928126 0.82 MCHR1 (0.47)
SCHEMBL4013295 0.80 ATR (0.57) ATRPRKDCATM

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