SCHEMBL7595573

SCHEMBL7595573

N=C(N)c1ccc2nc(C(Cc3ccncc3)c3nc4ccccc4[nH]3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.58
F10 P00742 6/20 0.58
F7 P08709 4/20 0.58
PRSS1 P07477 4/20 0.51
PLAU P00749 3/20 0.51
TPSAB1 Q15661 3/20 0.48
PLG P00747 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
PLAT P00750 1/20 0.46
HPN P05981 1/20 0.46

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
SCHEMBL7406501 0.86 F2 (0.53) F2F10F7PRSS1PLAU
SCHEMBL7506704 0.84 CHEK2 (0.53) F2F10F7PRSS1PLAU
SCHEMBL7403653 0.83 F2 (0.49) F2F10F7PRSS1PLAU
SCHEMBL7410068 0.83 F2 (0.49) F2F10F7PRSS1PLAU
SCHEMBL7404382 0.82 F2 (0.48) F2F10F7PRSS1PLAU
SCHEMBL7399843 0.80 F2 (0.58) F2F10F7PRSS1PLAU
SCHEMBL7403733 0.79 CHEK2 (0.51) F2F10F7PRSS1PLAU
SCHEMBL7404651 0.78 MAPK14 (0.48) F2F10F7
SCHEMBL7405886 0.77 F10 (0.42) F2F10F7PRSS1PLAU
SCHEMBL7406508 0.77 F2 (0.54) F2F10F7PRSS1PLAU

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed