SCHEMBL17469875

SCHEMBL17469875

CN(C)CCCNc1ncc2ccc(Br)cc2c1NNc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.41
KIT P10721 1/20 0.41
NTRK3 Q16288 1/20 0.41
EGFR P00533 3/20 0.39
F2 P00734 3/20 0.38
PRSS1 P07477 8/20 0.37
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL17469621 0.87 F7 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL19006217 0.82 FLT3 (0.61) FLT3KITNTRK3EGFRF2
SCHEMBL17469845 0.75 PRSS1 (0.42) EGFRF2PRSS1PRSS2PRSS3
SCHEMBL17469662 0.72 KIT (0.40) FLT3KITNTRK3EGFRF2
SCHEMBL17469844 0.70 FLT3 (0.42) FLT3KITNTRK3ST14F7
SCHEMBL17469641 0.69 KIT (0.47) FLT3KITNTRK3F2
SCHEMBL17469656 0.67 KIT (0.43) FLT3KITNTRK3F2
SCHEMBL13283185 0.65 HTT (0.68) FLT3EGFR
SCHEMBL17469874 0.65 EGFR (0.53) FLT3EGFR
SCHEMBL20001656 0.63 PRSS1 (0.66) F2PRSS1PRSS2PRSS3TMPRSS6

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