SCHEMBL8482467

SCHEMBL8482467

COCc1ccc(CCNc2ncnc3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.72
EGFR P00533 4/20 0.72
MAPK1 P28482 4/20 0.72
LMNA P02545 4/20 0.72
APP P05067 2/20 0.72
LDHA P00338 1/20 0.67
AURKA O14965 1/20 0.60
NR2F2 P24468 4/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 1/20 0.54
ALPG P10696 1/20 0.54
S1PR2 O95136 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GALR3 O60755 2/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
STAT3 P40763 1/20 0.51

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
SCHEMBL8483825 0.86 HTT (0.67) HTTEGFRMAPK1LMNAAPP
SCHEMBL8497590 0.84 APP (1.00) HTTEGFRMAPK1LMNAAPP
SCHEMBL8543175 0.82 HTT (0.83) HTTEGFRMAPK1LMNAAPP
SCHEMBL23202914 0.82 HTT (0.78) HTTEGFRMAPK1LMNAAPP
SCHEMBL30827884 0.82 HTT (0.78) HTTEGFRMAPK1LMNAAPP
SCHEMBL9608031 0.82 LDHA (0.57) HTTEGFRMAPK1LMNAAPP
SCHEMBL8543007 0.82 HTT (0.77) HTTEGFRMAPK1LMNAAPP
SCHEMBL8504069 0.82 HTT (0.72) HTTEGFRMAPK1LMNAAPP
SCHEMBL8515907 0.82 MAPK1 (0.72) HTTEGFRMAPK1LMNAAPP
SCHEMBL17001434 0.81 APP (1.00) HTTEGFRMAPK1LMNAAPP

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-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 WO disclosed