SCHEMBL5840485

SCHEMBL5840485

CCC(C)(C)NC(=O)c1cccc(Oc2ccc(CNc3ncnc4cc(OC)c(OC)cc34)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.58
FLT4 P35916 3/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 4/20 0.55
EGFR P00533 10/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LCK P06239 1/20 0.52
MAPK1 P28482 3/20 0.52
RAF1 P04049 1/20 0.49
HDAC3 O15379 2/20 0.47
ERBB2 P04626 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 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
SCHEMBL5839290 0.92 MEN1 (0.62) PDGFRBFLT4MEN1KMT2AHTT
SCHEMBL4460760 0.81 ERBB2 (0.65) EGFRERBB2KDR
SCHEMBL8809879 0.80 EGFR (0.82) MEN1KMT2AHTTEGFRKDM4E
SCHEMBL5839239 0.80 PDGFRB (0.58) PDGFRBFLT4MEN1KMT2AHTT
SCHEMBL6181626 0.75 MEN1 (1.00) MEN1KMT2AHTTEGFRKDM4E
SCHEMBL20782507 0.74 HTT (0.69) MEN1KMT2AHTTEGFRKDM4E
SCHEMBL4463533 0.74 ERBB2 (0.78) EGFRERBB2KDR
SCHEMBL22291162 0.74 MEN1 (0.75) MEN1KMT2AHTTEGFRKDM4E
SCHEMBL13702268 0.73 NPSR1 (0.61) LMNAALDH1A1HDAC8
SCHEMBL6179448 0.72 EGFR (1.00) MEN1KMT2AHTTEGFRKDM4E

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
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed