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SCHEMBL4847259

SCHEMBL4847259

COc1nc(NCCN(C)C)nc(OC)c1NC(=O)c1coc(Oc2cccc(C(C)(C)C)c2)n1.COc1nc(NCCN(C)C)nc(OC)c1NC(=O)c1csc(Oc2cccc(C(C)(C)C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.40
▸ PAICS P22234 2/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ BRAF P15056 2/20 0.31
▸ SLC8A1 P32418 2/20 0.31
▸ GNRHR P30968 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 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
SCHEMBL4233423 0.93 RAD52 (0.44) RAD52BRAFSLC8A1GNRHRRAF1
SCHEMBL4228231 0.93 RAD52 (0.41) RAD52PAICSKLKB1BRAFGNRHR
SCHEMBL14621836 0.81 BRAF (0.39) BRAFRAF1POLBMAPTHTT
SCHEMBL4241622 0.81 RAD52 (0.36) RAD52PAICSBRAFGNRHR
SCHEMBL4688969 0.81 CYP2C9 (0.42) GNRHRMAPT
SCHEMBL4233344 0.80 BRAF (0.37) BRAFRAF1POLBMAPTHTT
SCHEMBL4233039 0.80 NLRP3 (0.37) RAD52PAICSKLKB1BRAFGNRHR
SCHEMBL4228221 0.79 BRAF (0.38) KLKB1BRAFRAF1MAPTHTT
SCHEMBL4236029 0.79 CYP2C9 (0.49) GNRHR
SCHEMBL4233105 0.77 CYP2C9 (0.51) BRAFGNRHRRAF1POLB

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-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 — — EP claimed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 — — WO claimed