SCHEMBL27744167

SCHEMBL27744167

N=C(N)c1ccc2c(ccn2N)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.61
PLG P00747 5/20 0.61
F2 P00734 3/20 0.48
PRSS1 P07477 2/20 0.48
KLKB1 P03952 1/20 0.48
KLK1 P06870 1/20 0.48
F12 P00748 1/20 0.47
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL17654485 0.81 PLAU (0.61) PLAUPLGF2PRSS1KLKB1
SCHEMBL1817590 0.80 PLAU (0.64) PLAUPLGF2PRSS1KLKB1
SCHEMBL1816368 0.74 PLAU (1.00) PLAUPLGF2PRSS1
SCHEMBL27520653 0.73 ALDH1A1 (0.53)
SCHEMBL7533198 0.71 HDAC3 (0.53)
SCHEMBL10130424 0.71 PLAU (0.72) PLAUPLGF2PRSS1KLKB1
SCHEMBL3229590 0.70 PRKCI (0.61) PLAUF2
SCHEMBL8296673 0.69 PLAU (0.51) PLAUPLGF2PRSS1KLKB1
SCHEMBL3219394 0.68 HTR2A (0.50)
SCHEMBL1465981 0.68 HTR2A (0.50)

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
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed