SCHEMBL7378343

SCHEMBL7378343

CC(C)(C)OC(=O)CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(NC(N)=NCl)cncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.37
PLAU P00749 1/20 0.37
PTGER2 P43116 4/20 0.37
NAMPT P43490 3/20 0.36
KMT2A Q03164 2/20 0.36
CXCR3 P49682 1/20 0.35
NR1D1 P20393 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL7049646 0.93 PLAU (0.43) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL7377977 0.92 PLAU (0.36) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL7371411 0.91 MAPT (0.39) MMP1MMP9MMP13PLAUPTGER2
SCHEMBL7375649 0.90 NR1D1 (0.35) MMP1MMP9MMP13ALDH1A1PLAU
SCHEMBL7371892 0.89 TAS2R14 (0.40) MMP9MMP13ADAM17ALDH1A1PLAU
SCHEMBL7367643 0.88 ALDH1A1 (0.41) MMP1MMP9MMP13ALDH1A1PTGER2
Hydrochloric Acid SCHEMBL7379597 0.88 PLAU (0.47) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL7378428 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6436326 0.87 SMN1; SMN2 (0.37) MMP1MMP9MMP13ALDH1A1PLAU
SCHEMBL7050066 0.84 PLAU (0.39) ALDH1A1PLAUKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed