SCHEMBL17469656

SCHEMBL17469656

CC(C)NC(=N)c1ccc(NNc2c(N)ncc3ccc(Br)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
NTRK3 Q16288 1/20 0.43
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17469641 0.88 KIT (0.47) KITFLT3NTRK3F2
SCHEMBL17469662 0.82 KIT (0.40) KITFLT3NTRK3F2LMNA
SCHEMBL17469637 0.78 KIT (0.72) KITFLT3NTRK3F2SMN1; SMN2
SCHEMBL17469797 0.72 CCNC (0.45)
SCHEMBL17469875 0.67 FLT3 (0.41) KITFLT3NTRK3F2
SCHEMBL21103816 0.66 KIT (0.47) KITFLT3NTRK3
SCHEMBL17469655 0.65 KIT (0.79) KITFLT3NTRK3F2
SCHEMBL17469644 0.63 FLT3 (0.78) KITFLT3NTRK3F2
SCHEMBL19532040 0.63 KIT (0.46) KITFLT3NTRK3HTT
SCHEMBL30003784 0.63 KIT (0.46) KITFLT3NTRK3HTT

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-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO disclosed