SCHEMBL14196201

SCHEMBL14196201

CNc1ccc(NC(=S)N2CCN(c3ncnc4[nH]c5cc(OCCCN6CCN(C)CC6)c(OC)cc5c34)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.62
AURKA O14965 1/20 0.62
CDK1 P06493 1/20 0.62
MAP2K6 P52564 1/20 0.62
PDGFRB P09619 18/20 0.59
PDGFRA P16234 2/20 0.55

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
SCHEMBL13938480 0.94 KIT (0.62) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13962610 0.93 KIT (0.61) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938479 0.93 KIT (0.63) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938485 0.91 KIT (0.69) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938483 0.91 KIT (0.68) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938477 0.90 KIT (0.60) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938469 0.90 KIT (0.67) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938482 0.88 KIT (0.63) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL14196199 0.88 KIT (0.68) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938466 0.88 KIT (0.68) KITAURKACDK1MAP2K6PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed