SCHEMBL7777477

SCHEMBL7777477

[O]CCCOCCN(CCO)CCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7777494 0.86 BLM (0.41) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL19543545 0.86 BLM (0.39) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL7777480 0.84 BLM (0.38) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL4294793 0.83 TSHR (0.44) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL7777354 0.83 TSHR (0.33) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL12646242 0.81 BLM (0.48) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL7198059 0.80 GAA (0.41) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL9161412 0.79 BLM (0.41) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL522377 0.79 TSHR (0.56) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL2593277 0.79 TSHR (0.56) BLMPMP22HSD17B10TSHRMAPK1

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