SCHEMBL2390551

SCHEMBL2390551

COc1cc2c(N3CCN(C(=S)NCc4ccc(Br)cc4)CC3)ncnc2cc1OCCC1CCCCN1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 20/20 0.74
PDGFRA P16234 10/20 0.74
KIT P10721 1/20 0.62

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
SCHEMBL1132325 0.92 PDGFRB (0.64) PDGFRBPDGFRAKIT
SCHEMBL2388345 0.91 PDGFRB (0.74) PDGFRBPDGFRAKIT
SCHEMBL2388895 0.90 PDGFRB (0.74) PDGFRBPDGFRA
SCHEMBL1131907 0.89 PDGFRB (0.76) PDGFRBPDGFRAKIT
SCHEMBL1132499 0.89 PDGFRB (0.75) PDGFRBPDGFRAKIT
SCHEMBL6709661 0.87 PDGFRB (0.75) PDGFRBPDGFRAKIT
SCHEMBL2389482 0.86 PDGFRB (0.58) PDGFRBPDGFRAKIT
SCHEMBL6710982 0.86 PDGFRB (0.56) PDGFRBPDGFRAKIT
SCHEMBL1132420 0.86 PDGFRB (0.73) PDGFRBPDGFRAKIT
SCHEMBL6709459 0.86 PDGFRB (0.58) PDGFRBPDGFRAKIT

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
US-8022071-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-20 US claimed
EP-1309568-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP claimed
WO-2002016361-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed