SCHEMBL7405159

SCHEMBL7405159

N=C(N)c1ccc2[nH]c(Cc3nc4ccccc4n3CCN)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.55
F2 P00734 4/20 0.55
F7 P08709 3/20 0.55
JAK2 O60674 3/20 0.52
JAK1 P23458 3/20 0.52
TYK2 P29597 3/20 0.52
JAK3 P52333 3/20 0.52
TPSAB1 Q15661 3/20 0.48
PRSS1 P07477 2/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL7407177 0.90 F10 (0.64) F10F2F7TPSAB1PRSS1
SCHEMBL7397939 0.89 F10 (0.52) F10F2F7TPSAB1PRSS1
SCHEMBL7403767 0.87 F10 (0.52) F10F2F7TPSAB1PRSS1
SCHEMBL7402998 0.86 F10 (0.58) F10F2F7TPSAB1PRSS1
SCHEMBL7406962 0.86 F10 (0.48) F10F2F7JAK2JAK1
SCHEMBL7406056 0.85 SMN1; SMN2 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7402814 0.84 F2 (0.49) F10F2F7JAK2JAK1
SCHEMBL7510080 0.84 F10 (0.49) F10F2F7JAK2JAK1
SCHEMBL7408793 0.83 F10 (0.48) F10F2F7JAK2JAK1
SCHEMBL7409133 0.82 F10 (0.56) F10F2F7TPSAB1PRSS1

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