SCHEMBL4297778

SCHEMBL4297778

COc1cc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)ccc1OCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.58
MAP3K11 Q16584 2/20 0.52
ADORA2A P29274 1/20 0.49
EGFR P00533 1/20 0.48
PRKDC P78527 1/20 0.48
ATM Q13315 1/20 0.48
KIT P10721 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL4006573 0.93 ATR (0.59) ATREGFRPRKDCATM
SCHEMBL3927916 0.83 ATR (0.48) ATRMAP3K11ADORA2A
SCHEMBL4158549 0.82 MAP3K11 (0.50) MAP3K11ADORA2AEGFRKITJAK2
SCHEMBL4009811 0.82 MCHR1 (0.49) ATRMAP3K11ADORA2A
SCHEMBL4012928 0.82 ATR (0.54) ATRMAP3K11ADORA2A
SCHEMBL4452119 0.81 ATR (0.61) ATRPRKDCATM
SCHEMBL4009857 0.81 MCHR1 (0.51) ATRMAP3K11ADORA2A
SCHEMBL13956736 0.80 EGFR (0.53) ATREGFRPRKDCATM
SCHEMBL4004985 0.80 ATR (0.47) ATRMAP3K11ADORA2APRKDCATM
SCHEMBL4008321 0.79 ATR (0.55) ATRMAP3K11ADORA2A

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