SCHEMBL10967697

SCHEMBL10967697

CCOC(=O)C(=CNc1ncnc2c(C)cccc12)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
DHODH Q02127 4/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 4/20 0.46
RPS6KB1 P23443 2/20 0.44
AURKA O14965 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL11095190 0.84 RPS6KB1 (0.43) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10967972 0.83 RAB9A (0.59) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10716653 0.77 MAPT (1.00) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10966662 0.76 KMT2A (0.55) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10969276 0.76 KDM4E (0.57) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL11610004 0.76 MAPT (0.65) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10863521 0.75 CYP3A4 (0.71) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10970783 0.74 CYP1A2 (0.51) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL10971593 0.74 EGFR (0.52) MAPTCYP3A4CYP2D6MAPK1CYP1A2
SCHEMBL11608951 0.74 MAPT (0.56) MAPTCYP3A4CYP2D6MAPK1CYP1A2

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
US-4543356-A Quinazoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-24 US disclosed