SCHEMBL6012202

SCHEMBL6012202

Nc1n[nH]c2c(OCC(NS(=O)(=O)CF)(NS(=O)(=O)CF)NS(=O)(=O)CF)ccc(I)c12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
JAK2 O60674 1/20 0.31
KDR P35968 2/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 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
SCHEMBL420358 0.74 IDO1 (0.40) PDPK1KDRPDGFRBKITFLT3
SCHEMBL423508 0.72 KDR (0.36) PDPK1KDRPDGFRBKITFLT3
SCHEMBL421542 0.69 GLRA3 (0.46) KDRKIT
SCHEMBL6012201 0.67 PDPK1 (0.32) PDPK1KDRKITFLT3
SCHEMBL423869 0.66 ALDH1A1 (0.47)
SCHEMBL420454 0.64 HRH4 (0.41) PDPK1
SCHEMBL419576 0.62 PDPK1 (0.49) PDPK1KDRPDGFRBKITFLT3
SCHEMBL424795 0.60 PDPK1 (0.49) PDPK1JAK2KDRKITFLT3
SCHEMBL425657 0.60 PDPK1 (0.49) PDPK1JAK2KDRKITFLT3
SCHEMBL422600 0.57 ALDH1A1 (0.40) PDPK1FLT3

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-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed