SCHEMBL2540445

SCHEMBL2540445

Cc1cc(Nc2cncc3[nH]nc(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.61
EGFR P00533 15/20 0.59
LRRK2 Q5S007 2/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL2514960 0.93 ERBB2 (0.52) ERBB2EGFRLRRK2
SCHEMBL2518340 0.91 ERBB2 (0.49) ERBB2EGFR
SCHEMBL2522164 0.86 ERBB2 (0.69) ERBB2EGFR
SCHEMBL2537030 0.85 ERBB2 (0.73) ERBB2EGFRKDM1A
SCHEMBL2538192 0.85 ERBB2 (0.42) ERBB2EGFRLRRK2
SCHEMBL1406784 0.83 ERBB2 (0.85) ERBB2EGFR
SCHEMBL2539476 0.83 ERBB2 (0.60) ERBB2EGFR
SCHEMBL2537620 0.82 ERBB2 (0.61) ERBB2EGFR
SCHEMBL5517462 0.82 ERBB2 (0.72) ERBB2EGFR
SCHEMBL2542809 0.81 CTSV (0.39) ERBB2EGFRLRRK2

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