SCHEMBL7400634

SCHEMBL7400634

Cc1ccc2nc(Cc3nc4cc(C(=N)N)ccc4[nH]3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.57
F2 P00734 5/20 0.55
PRSS1 P07477 4/20 0.55
TPSAB1 Q15661 3/20 0.55
PLG P00747 3/20 0.55
PLAU P00749 3/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
F7 P08709 2/20 0.53
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
PLAT P00750 1/20 0.45

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
SCHEMBL7400515 0.86 F10 (0.67) F10F2PRSS1TPSAB1PLG
SCHEMBL65730 0.80 F10 (0.77) F10F2PRSS1TPSAB1PLG
SCHEMBL4322200 0.79 TPSAB1 (0.78) F10F2PRSS1TPSAB1PLG
SCHEMBL7405281 0.77 F10 (0.85) F10F2PRSS1TPSAB1PLG
SCHEMBL7406339 0.77 F10 (0.62) F10F2PRSS1TPSAB1PLG
SCHEMBL7399252 0.77 F10 (0.52) F10F2PRSS1TPSAB1PLG
SCHEMBL27659971 0.75 F10 (0.60) F10F2PRSS1TPSAB1PLG
SCHEMBL548419 0.75 F10 (0.63) F10F2PRSS1TPSAB1PLG
SCHEMBL7406105 0.74 F10 (0.68) F10F2PRSS1TPSAB1PLG
SCHEMBL7406681 0.74 F10 (0.68) F10F2PRSS1TPSAB1PLG

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