SCHEMBL5329624

SCHEMBL5329624

N=C(N)c1ccc2[nH]c(C=Cc3nc4cc(C(=N)N)ccc4[nH]3)nc2c1.N=C(N)c1ccc2[nH]c(CCCCCCCCc3nc4cc(C(=N)N)ccc4[nH]3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.50
TPSAB1 Q15661 3/20 0.50
PRSS1 P07477 2/20 0.50
F2 P00734 2/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.49
TPSG1 Q9NRR2 1/20 0.49
F7 P08709 1/20 0.48
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL548319 0.91 F10 (0.58) F10TPSAB1PRSS1F2PLG
SCHEMBL548407 0.87 F10 (0.60) F10TPSAB1PRSS1F2PLG
SCHEMBL5329388 0.87 F10 (0.49) F10TPSAB1PRSS1F2PLG
SCHEMBL548437 0.87 F10 (0.49) F10TPSAB1PRSS1F2PLG
SCHEMBL548419 0.84 F10 (0.63) F10TPSAB1PRSS1F2PLG
SCHEMBL29625940 0.80 F10 (0.76) F10TPSAB1PRSS1F2PLG
SCHEMBL28757174 0.80 F10 (0.76) F10TPSAB1PRSS1F2PLG
SCHEMBL27639305 0.79 F10 (0.57) F10TPSAB1PRSS1F2PLG
SCHEMBL65730 0.79 F10 (0.77) F10TPSAB1PRSS1F2PLG
SCHEMBL7479169 0.78 F10 (0.71) F10TPSAB1PRSS1F2PLG

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
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed