SCHEMBL3159267

SCHEMBL3159267

CCCCC[C@@H](C)Oc1ncnc2oc(Br)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.41
KDR P35968 6/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GSK3B P49841 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
UBE2N P61088 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK1 O14757 1/20 0.38
CDK1 P06493 1/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2180610 0.88 MEN1 (0.38) TEKKDRMEN1KMT2AGSK3B
SCHEMBL4696958 0.85 KDM4E (0.58) TEKKDRMEN1KMT2AGSK3B
SCHEMBL2181263 0.84 MEN1 (0.36) TEKKDRMEN1KMT2AGSK3B
SCHEMBL12409608 0.84 MEN1 (0.36) TEKKDRMEN1KMT2AGSK3B
SCHEMBL2181267 0.83 MEN1 (0.36) TEKKDRMEN1KMT2AGSK3B
SCHEMBL4698205 0.76 KMT2A (0.62) TEKKDRMEN1KMT2AGSK3B
SCHEMBL6750702 0.75 KDM4E (0.54) TEKKDRMEN1KMT2AGSK3B
SCHEMBL6750708 0.75 KDM4E (0.54) TEKKDRMEN1KMT2AGSK3B
SCHEMBL4530234 0.75 KDM4E (0.54) TEKKDRMEN1KMT2AGSK3B
SCHEMBL12409629 0.75 MCL1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed