SCHEMBL4587388

SCHEMBL4587388

N=C(N)c1cccc(C(=O)Nc2[c]c(O)ccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.46
F2 P00734 6/20 0.46
PRSS1 P07477 5/20 0.46
PLG P00747 4/20 0.46
KLKB1 P03952 4/20 0.46
PLAT P00750 3/20 0.46
KLK1 P06870 1/20 0.46
F10 P00742 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 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
SCHEMBL8794414 0.80 KCNK3 (0.50) MEN1KMT2A
SCHEMBL4587392 0.75 PLAU (0.50) PLAUF2PRSS1PLGKLKB1
Hydrochloric Acid SCHEMBL6542512 0.74 MEN1 (0.58) PLAUF2PRSS1PLGKLKB1
Hydrochloric Acid SCHEMBL2711619 0.73 PLAU (0.70) PLAUF2PRSS1PLGKLKB1
SCHEMBL12348330 0.72 MEN1 (0.67) PLAUF2PRSS1PLGKLKB1
SCHEMBL9303041 0.70 PLAU (0.61) PLAUF2PRSS1PLGKLKB1
SCHEMBL15547311 0.70 PRSS1 (0.70) PLAUF2PRSS1PLGKLKB1
SCHEMBL9271119 0.69 ATM (0.60) F2PRSS1PLGF10PKM
SCHEMBL2850803 0.69 PARP1 (0.59) F2PRSS1PLGF10PKM
Hydrochloric Acid SCHEMBL28555629 0.68 PRSS1 (0.74) F2PRSS1PLGF10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP disclosed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed