SCHEMBL7775670

SCHEMBL7775670

NCCCNC(=O)COCCO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.37
ACHE P22303 1/20 0.37
TSHR P16473 2/20 0.35
FAAH O00519 1/20 0.35
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
SLC6A5 Q9Y345 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13475343 0.90 TSHR (0.40) PAOXTSHRALDH1A1RECQLMEN1
SCHEMBL7778631 0.89 TSHR (0.35) ACHETSHRFAAHALDH1A1MEN1
SCHEMBL7713617 0.86 ALDH1A1 (0.46) ACHETSHRFAAHNAAAALDH1A1
SCHEMBL7775664 0.85 PAOX (0.37) PAOXTSHRFAAHALDH1A1RECQL
SCHEMBL14001490 0.82 MEN1 (0.38) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11232047 0.79 NAAA (0.61) ACHEFAAHNAAAMEN1KMT2A
SCHEMBL22083675 0.79 DNM1 (0.50) PAOXACHETSHRALDH1A1
SCHEMBL21099687 0.79 NAAA (0.61) ACHEFAAHNAAAMEN1KMT2A
SCHEMBL11619047 0.79 NAAA (0.61) ACHEFAAHNAAAMEN1KMT2A
SCHEMBL27410605 0.78 PAOX (0.41) PAOXTSHRFAAHALDH1A1RECQL

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