SCHEMBL7367550

SCHEMBL7367550

Nc1cccnc1Nc1cccc(/C=C/c2ccnc(O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM1A O60341 5/20 0.40
TLR4 O00206 3/20 0.39
TLR2 O60603 3/20 0.39
NPC1 O15118 4/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CG P48736 3/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6796992 0.86 NPC1 (0.55) CA12CA1CA2CA9KDM1A
SCHEMBL6796987 0.86 NPC1 (0.55) CA12CA1CA2CA9KDM1A
SCHEMBL6796866 0.85 CYP19A1 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6796859 0.85 CYP19A1 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL7366274 0.84 CA12 (0.40) CA12CA1CA2CA9KDM1A
SCHEMBL7367589 0.83 MMP1 (0.45) KDM1AEGFR
SCHEMBL6799851 0.82 NPC1 (0.50) CA12CA1CA2CA9KDM1A
SCHEMBL6793309 0.82 TLR4 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6793312 0.82 TLR4 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6799845 0.82 NPC1 (0.50) CA12CA1CA2CA9KDM1A

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