SCHEMBL6671698

SCHEMBL6671698

COc1cc2c(C3C(=O)Nc4ncccc43)ncnc2cc1OCCc1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.35
ENPP1 P22413 1/20 0.34
BRD4 O60885 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
ATM Q13315 3/20 0.34
TYK2 P29597 1/20 0.34
NEK9 Q8TD19 1/20 0.34
NEK6 Q9HC98 1/20 0.34
PDE1B Q01064 1/20 0.33
MAPK7 Q13164 1/20 0.33

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
SCHEMBL8501657 0.89 PDE4A (0.37) KDRENPP1BRD4EGFRERBB2
Hydrochloric Acid SCHEMBL8501633 0.88 PDE4A (0.37) KDRENPP1BRD4EGFRERBB2
SCHEMBL5272824 0.87 KDR (0.46) KDRATMTYK2NEK9NEK6
Hydrochloric Acid SCHEMBL8187414 0.85 KDR (0.34) KDRENPP1PDE1BMAPK7
SCHEMBL5500150 0.82 ATM (0.49) KDREGFRATM
SCHEMBL6588693 0.82 CHEK1 (0.42) KDREGFRMAPK7
SCHEMBL5272713 0.80 EGFR (0.48) KDREGFRERBB2
SCHEMBL5498754 0.79 SRC (0.53) KDREGFRATM
SCHEMBL5276106 0.79 SRC (0.53) KDREGFRATM
Acetic Acid SCHEMBL4677365 0.79 EGFR (0.36) KDRENPP1EGFRMAPK7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458395-A1 NEW USE AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003053444-A1 NEW USE ASTRAZENECA AB (SE) 2003-07-03 WO claimed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP claimed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO claimed
EP-1458395-A1 NEW USE AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003053444-A1 NEW USE ASTRAZENECA AB (SE) 2003-07-03 WO disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed