SCHEMBL1031646

SCHEMBL1031646

CC(C)Oc1ccc(NC(=O)N2CCN(c3ncnc4nc[nH]c34)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 16/20 0.75
FLT3 P36888 5/20 0.58
KIT P10721 3/20 0.58
MAPT P10636 2/20 0.55
CSF1R P07333 2/20 0.55
CASP1 P29466 1/20 0.52
BRCA1 P38398 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1031644 0.86 PDGFRB (0.64) PDGFRBFLT3KITCSF1R
SCHEMBL1028741 0.85 PDGFRB (1.00) PDGFRBFLT3KIT
SCHEMBL1030346 0.81 PDGFRB (0.69) PDGFRBFLT3KITMAPT
SCHEMBL1030944 0.80 PDGFRB (0.68) PDGFRBFLT3KITMAPT
SCHEMBL13956853 0.77 FLT3 (0.79) PDGFRBFLT3KITCSF1R
SCHEMBL2923104 0.76 PDGFRB (1.00) PDGFRBFLT3KITCSF1R
SCHEMBL13524742 0.74 PDGFRB (0.88) PDGFRBFLT3KITCSF1R
SCHEMBL13524740 0.74 PDGFRB (0.88) PDGFRBFLT3KITCSF1R
SCHEMBL13956852 0.73 FLT3 (1.00) PDGFRBFLT3KIT
SCHEMBL27734244 0.73 FLT3 (1.00) PDGFRBFLT3KIT

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
EP-1067123-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-01-19 EP disclosed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed