SCHEMBL4041935

SCHEMBL4041935

COc1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 1.00
MAPT P10636 3/20 0.76
EGFR P00533 2/20 0.71
MAPK1 P28482 2/20 0.67
LMNA P02545 2/20 0.67
RAF1 P04049 1/20 0.67
HTT P42858 1/20 0.67
MEN1 O00255 1/20 0.66
POLB P06746 1/20 0.66
HPGD P15428 1/20 0.66
KMT2A Q03164 1/20 0.66
FGFR1 P11362 1/20 0.64

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
SCHEMBL924123 0.84 MKNK1 (0.77) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL4045792 0.83 MKNK1 (0.76) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL923247 0.83 MKNK1 (1.00) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL922549 0.83 EGFR (1.00) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL4039669 0.82 MAPK1 (0.95) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL923231 0.81 MKNK1 (0.67) MKNK1MAPTEGFRHPGD
SCHEMBL4040366 0.80 MKNK1 (0.74) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL923360 0.80 MKNK1 (0.71) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL3804176 0.80 FGFR1 (0.69) MKNK1MAPTEGFRMAPK1LMNA
SCHEMBL12375308 0.80 MAPT (0.75) MKNK1MAPTEGFRLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009104027-A1 THERAPEUTIC APPLICATION OF TRICICLIC AROMATIC AND SATURATED BENZO(4,5)THIENO-(2,3-D)PYRIMIDINE DERIVATES, AS WELL AS THEIR THERAPEUTICALLY ACCEPTABLE SALTS VICHEM CHEMIE KUTATÓ KFT (HU) 2009-08-27 WO claimed