SCHEMBL7409704

SCHEMBL7409704

N=C(N)c1ccc2nc(Cc3ccccn3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 1.00
F2 P00734 4/20 1.00
F7 P08709 3/20 1.00
TPSAB1 Q15661 3/20 0.71
PRSS1 P07477 2/20 0.71
PLG P00747 1/20 0.71
PLAU P00749 1/20 0.71
PRSS2 P07478 1/20 0.71
PRSS3 P35030 1/20 0.71
TPSD1 Q9BZJ3 1/20 0.70
TPSG1 Q9NRR2 1/20 0.70

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
SCHEMBL6162109 0.90 F10 (0.82) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL30387066 0.89 F10 (0.80) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL28571306 0.89 F10 (0.80) F10F2F7TPSAB1PRSS1
SCHEMBL29361696 0.84 F10 (1.00) F10F2F7TPSAB1PRSS1
SCHEMBL871141 0.84 F10 (1.00) F10F2F7TPSAB1PRSS1
SCHEMBL29354281 0.83 F10 (1.00) F10F2F7TPSAB1PRSS1
SCHEMBL30697529 0.80 F10 (0.80) F10F2F7TPSAB1PRSS1
SCHEMBL29503461 0.79 F10 (0.82) F10F2F7TPSAB1PRSS1
SCHEMBL13947376 0.78 F2 (0.64) F10F2F7
SCHEMBL3338581 0.77 F2 (0.61) F10F2F7

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