SCHEMBL695962

SCHEMBL695962

N=C(N)c1ccc2c(cnc3cn[nH]c32)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.39
F2 P00734 5/20 0.39
PRSS1 P07477 5/20 0.39
PLG P00747 3/20 0.39
KLK1 P06870 2/20 0.39
KLKB1 P03952 1/20 0.39
F12 P00748 1/20 0.38
TPSAB1 Q15661 3/20 0.38
F10 P00742 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
F7 P08709 1/20 0.36
PLAT P00750 1/20 0.36

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
SCHEMBL695375 0.81 MGAM (0.43)
SCHEMBL694816 0.71 RIPK1 (0.39)
SCHEMBL694559 0.70 KDM4E (0.53)
SCHEMBL6536027 0.69 KDM4E (0.53) PLAUF2PRSS1PLGKLK1
SCHEMBL7362984 0.67 KDM4E (0.55) PLAUF2PRSS1PLGKLK1
SCHEMBL6536176 0.66 KDM4E (0.53) PLAUF2PRSS1PLGKLK1
SCHEMBL26918721 0.66 CHEK1 (0.43)
SCHEMBL29685371 0.66 CHEK1 (0.43)
SCHEMBL27215992 0.64 MAPK10 (0.40)
SCHEMBL5674933 0.62 MGAM (0.61) PLAUF2PRSS1PLGKLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed