SCHEMBL17469845

SCHEMBL17469845

CCCCNc1ncc2ccccc2c1NNc1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.42
F2 P00734 5/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
ACP1 P24666 1/20 0.40
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
CASP6 P55212 1/20 0.36
KLK1 P06870 2/20 0.36
KLK5 Q9Y337 2/20 0.36
S1PR2 O95136 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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 0.89 F7 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17469624 0.79 KIT (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17469875 0.75 FLT3 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17469769 0.69 PLAU (0.41) PRSS1F2EGFRKDRKLK1
SCHEMBL17469844 0.69 FLT3 (0.42) ST14F7F3
SCHEMBL17469772 0.68 PLAU (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17469662 0.67 KIT (0.40) F2EGFRKDRLMNASMN1; SMN2
SCHEMBL17469777 0.63 KCNJ11 (0.44) PRSS1F2KLK1
SCHEMBL3667557 0.63 PRSS1 (0.72) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10691567 0.63 G6PD (0.48) ACP1LMNANPSR1

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