SCHEMBL28818322

SCHEMBL28818322

c1ccc(CNNc2ncnc3nc[nH]c23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.74
TSHR P16473 4/20 0.74
MAPK1 P28482 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 1/20 0.74
CDK2 P24941 1/20 0.74
HTT P42858 4/20 0.63
TAAR1 Q96RJ0 1/20 0.63
HSD17B10 Q99714 3/20 0.60
ALOX15 P16050 2/20 0.56
PRMT1 Q99873 1/20 0.56
TP53 P04637 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.54
CDC7 O00311 3/20 0.54

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
6-Benzylaminopurine SCHEMBL29349525 0.85 LMNA (1.00) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL37358 0.85 LMNA (1.00) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL218733 0.84 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL30241517 0.84 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL8378682 0.84 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL11477809 0.84 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL29501954 0.79 LMNA (0.60) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL8018975 0.78 LMNA (0.79) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL25275120 0.78 LMNA (0.82) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL28846839 0.78 LMNA (0.82) LMNATSHRMAPK1CYP1A2CYP2D6

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
CN-104478611-A Synergisticanti-caking agent for macroelement WSF (water-soluble fertilizer) SINOCHEM YANTAI CROP NUTRITION AND PLANT PROT RES CT 2015-04-01 CN disclosed