SCHEMBL7778656

SCHEMBL7778656

OCCC(O)CN(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.33
MAPK1 P28482 1/20 0.31

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
SCHEMBL8617028 0.86 KDM4E (0.55) KDM4ETHRBTSHRMEN1KMT2A
SCHEMBL14278873 0.83 KDM4E (0.42) KDM4ETSHRMEN1KMT2AP2RX3
SCHEMBL7298238 0.83 KDM4E (0.42) KDM4ETSHRMEN1KMT2AP2RX3
SCHEMBL7778652 0.83 KDM4E (0.42) KDM4ETSHRMEN1KMT2AP2RX3
SCHEMBL162146 0.83 THRB (0.40) KDM4ETHRBTSHRMEN1KMT2A
SCHEMBL8474662 0.81 MAPT (0.46) KDM4ETSHRMEN1KMT2AP2RX3
SCHEMBL3279037 0.81 KDM4E (0.47) KDM4ETHRBTSHRMEN1KMT2A
SCHEMBL19015373 0.80 KDM4E (0.40) KDM4ETSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11700040 0.79 KDM4E (0.50) KDM4ETHRBTSHRMEN1KMT2A
SCHEMBL7298228 0.78 KDM4E (0.39) KDM4ETSHRMEN1KMT2AP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed