SCHEMBL8287987

SCHEMBL8287987

COc1ccc(-c2cncc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SRC P12931 3/20 0.41
ABL1 P00519 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
USP2 O75604 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
ACP1 P24666 1/20 0.39
EGFR P00533 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL8286454 0.89 GAA (0.38) MAPTMEN1KMT2AABL1CYP1A2
SCHEMBL8287990 0.86 USP2 (0.36) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL8286163 0.84 BRAF (0.40) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8362692 0.82 CYP1A2 (0.40) MAPTMEN1KMT2AABL1CYP1A2
SCHEMBL8287214 0.80 GAA (0.44) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8287380 0.80 CYP1A2 (0.46) MAPTMEN1KMT2ASRCABL1
SCHEMBL8286187 0.79 GAA (0.36) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8287246 0.79 GAA (0.39) MAPTMEN1KMT2ASRCCYP3A4
SCHEMBL8286161 0.78 CYP1A2 (0.36) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL8287501 0.78 GAA (0.39) MAPTMEN1KMT2ACYP1A2CYP3A4

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed