SCHEMBL7367589

SCHEMBL7367589

Nc1cccnc1Nc1cccc(-c2cccc(NC(=O)/C=C/c3ccnc(O)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.45
MMP2 P08253 11/20 0.45
MMP9 P14780 11/20 0.45
KDM1A O60341 1/20 0.43
EGFR P00533 3/20 0.41
MAOB P27338 2/20 0.41
LTB4R Q15722 1/20 0.40
HDAC4 P56524 3/20 0.40
MEF2D Q14814 3/20 0.40

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
SCHEMBL7363300 0.85 MAPT (0.48) EGFR
SCHEMBL7364163 0.85 JAK3 (0.48) MMP1MMP2MMP9EGFRLTB4R
SCHEMBL7364170 0.85 JAK3 (0.48) MMP1MMP2MMP9EGFRLTB4R
SCHEMBL7486915 0.84 LTB4R (0.41) MMP1MMP2MMP9EGFRMAOB
SCHEMBL7486921 0.84 LTB4R (0.41) MMP1MMP2MMP9EGFRMAOB
SCHEMBL7367550 0.83 CA12 (0.41) KDM1AEGFR
SCHEMBL7362038 0.81 HDAC1 (0.46) KDM1AEGFRLTB4RHDAC4MEF2D
SCHEMBL7362037 0.81 HDAC1 (0.46) KDM1AEGFRLTB4RHDAC4MEF2D
SCHEMBL6794751 0.78 SIRT2 (0.49)
SCHEMBL6794745 0.78 SIRT2 (0.49)

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-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed