SCHEMBL4039669

SCHEMBL4039669

c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.95
MEN1 O00255 1/20 0.95
POLB P06746 1/20 0.95
HPGD P15428 1/20 0.95
KMT2A Q03164 1/20 0.95
MKNK1 Q9BUB5 6/20 0.77
FGFR1 P11362 2/20 0.77
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
GLA P06280 1/20 0.74
EGFR P00533 2/20 0.74
MAPT P10636 6/20 0.73
TP53 P04637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
RAF1 P04049 3/20 0.71
HTT P42858 3/20 0.71
GAA P10253 1/20 0.71
LMNA P02545 2/20 0.70
PDE5A O76074 1/20 0.66
MAP2K1 Q02750 1/20 0.65

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
SCHEMBL925205 0.88 MKNK1 (0.79) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL923228 0.87 MKNK1 (1.00) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL923658 0.87 FGFR1 (1.00) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL924123 0.86 MKNK1 (0.77) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL922549 0.85 EGFR (1.00) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL923247 0.85 MKNK1 (1.00) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL4045792 0.85 MKNK1 (0.76) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL923360 0.82 MKNK1 (0.71) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL4040366 0.82 MKNK1 (0.74) MAPK1MEN1POLBHPGDKMT2A
SCHEMBL4041935 0.82 MKNK1 (1.00) MAPK1MEN1POLBHPGDKMT2A

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