SCHEMBL8504451

SCHEMBL8504451

CCOC(=O)c1cnc(CCNc2ncnc3ccccc23)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
AURKA O14965 3/20 0.48
HTT P42858 3/20 0.48
APP P05067 2/20 0.48
EGFR P00533 1/20 0.48
MAPK1 P28482 1/20 0.48
LDHA P00338 1/20 0.47
S1PR2 O95136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 3/20 0.45
AURKB Q96GD4 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL9609190 0.83 RAB9A (0.51) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL9608084 0.82 RAB9A (0.48) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL8497432 0.79 RAB9A (0.67) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL10281031 0.79 AURKA (0.50) RAB9ALMNASMN1; SMN2MAPTAURKA
SCHEMBL5438254 0.73 POLB (0.56) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL8504435 0.72 RAB9A (0.48) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL4989265 0.72 CDC7 (0.55) LMNASMN1; SMN2MAPTPOLBHTT
SCHEMBL9608030 0.71 RAB9A (0.61) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL28267334 0.70 CDC7 (0.52) RAB9ALMNASMN1; SMN2MAPTPOLB
SCHEMBL8483839 0.69 HTT (0.60) RAB9ALMNASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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