SCHEMBL2542809

SCHEMBL2542809

Cc1cc(Nc2cncc3[nH]nc(OCCCS(=O)(=O)O)c23)ccc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.39
CTSL P07711 5/20 0.39
ERBB2 P04626 3/20 0.39
GRM4 Q14833 1/20 0.38
PTK6 Q13882 1/20 0.38
EGFR P00533 2/20 0.37
LRRK2 Q5S007 2/20 0.36
SGMS2 Q8NHU3 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ACP1 P24666 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN13 Q12923 1/20 0.34
SSU72 Q9NP77 1/20 0.34
MAPK1 P28482 3/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
FFAR1 O14842 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
SCHEMBL2544081 0.92 ERBB2 (0.49) ERBB2EGFRSGMS2CSF1RKIT
SCHEMBL2538192 0.88 ERBB2 (0.42) CTSVCTSLERBB2GRM4PTK6
SCHEMBL2540117 0.82 EGFR (0.48) CTSVCTSLERBB2EGFRMAPK1
SCHEMBL2518340 0.82 ERBB2 (0.49) ERBB2GRM4EGFRMAPK1
SCHEMBL2535036 0.81 ERBB2 (0.43) ERBB2EGFRMAPK1
SCHEMBL2540445 0.81 ERBB2 (0.61) ERBB2EGFRLRRK2
SCHEMBL2520617 0.80 ERBB2 (0.48) ERBB2EGFR
SCHEMBL2542639 0.80 ERBB2 (0.52) ERBB2EGFRSGMS2
SCHEMBL2514960 0.79 ERBB2 (0.52) ERBB2EGFRLRRK2CSF1R
SCHEMBL2542585 0.78 ERBB2 (0.55) ERBB2GRM4EGFRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838712-B8 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-10-12 EP claimed
EP-1838712-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006064196-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-06-22 WO claimed