SCHEMBL9850419

SCHEMBL9850419

c1cnc2c(NCCNCCNc3cccc4[nH]ncc34)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PIK3CA P42336 7/20 0.43
PIK3CB P42338 7/20 0.43
PIK3CG P48736 7/20 0.43
PIK3CD O00329 5/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDO2 P48775 2/20 0.41
BRAF P15056 2/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
GLO1 Q04760 1/20 0.40

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
SCHEMBL9850498 0.83 BCHE (0.49) JAK2JAK1KDM4EALDH1A1MAPT
SCHEMBL9850444 0.81 INSR (0.41) JAK2KDM4EMEN1NSD2ALDH1A1
SCHEMBL9850510 0.80 MEN1 (0.43) KDM4EMEN1NSD2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9850493 0.80 MEN1 (0.52) KDM4EMEN1NSD2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9850592 0.78 BCHE (0.52) KDM4EMEN1NSD2ALDH1A1MAPT
SCHEMBL522650 0.78 MEN1 (0.59) KDM4EMEN1NSD2ALDH1A1MAPT
SCHEMBL9850437 0.78 HTR1A (0.61) JAK2JAK1TDO2BRAFRAF1
SCHEMBL9850549 0.77 NOS1 (0.54) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL9850499 0.75 HTR1A (0.64) KDM4EMEN1NSD2ALDH1A1MAPT
SCHEMBL9850257 0.75 MEN1 (0.51) KDM4EMEN1NSD2ALDH1A1MAPT

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
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed