SCHEMBL2390546

SCHEMBL2390546

COc1cc2c(N3CCN(C(=S)NCc4ccc(Br)cc4)CC3)ncnc2cc1OC(C)C1CCCCN1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 20/20 0.73
PDGFRA P16234 15/20 0.73
KIT P10721 2/20 0.61
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56

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
SCHEMBL1132329 0.92 PDGFRB (0.62) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL2388350 0.91 PDGFRB (0.66) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL1132500 0.89 PDGFRB (0.74) PDGFRBPDGFRAKIT
SCHEMBL7155375 0.87 PDGFRB (0.58) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL4811163 0.86 PDGFRB (0.56) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL6709660 0.86 PDGFRB (0.73) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL6710979 0.86 PDGFRB (0.54) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL1132421 0.86 PDGFRB (0.64) PDGFRBPDGFRAKIT
SCHEMBL1132417 0.86 PDGFRB (0.54) PDGFRBPDGFRAKIT
SCHEMBL1131894 0.86 PDGFRB (0.57) 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