SCHEMBL7986780

SCHEMBL7986780

N=C(N)c1ccc(CN2CCN(Cc3ccc(C(=N)N)cc3)C(=O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.62
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
F2 P00734 1/20 0.47
HPN P05981 1/20 0.47
HGFAC Q04756 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
APP P05067 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
F9 P00740 1/20 0.41

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
SCHEMBL7999835 0.95 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7986762 0.91 F10 (0.55) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7986749 0.90 F10 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7986943 0.90 F10 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8003193 0.89 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7996092 0.89 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7986772 0.88 F10 (0.57) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL1651234 0.84 F10 (0.51) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8000015 0.84 F10 (0.53) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7999904 0.84 F10 (0.53) F10ITGB3ITGA2BPRSS1PRSS2

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed