SCHEMBL5734733

SCHEMBL5734733

COc1cc2nc(-c3cc4ccccc4o3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.59
KDR P35968 1/20 0.49
ROCK2 O75116 11/20 0.49
TGFBR1 P36897 1/20 0.49
EGFR P00533 1/20 0.46
ROCK1 Q13464 2/20 0.44
CLK2 P49760 1/20 0.43
BLK P51451 1/20 0.43
CSNK2A1 P68400 1/20 0.43
STK3 Q13188 1/20 0.43
DYRK1A Q13627 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
ABCB1 P08183 2/20 0.42
ABCC1 P33527 2/20 0.42
PRKD3 O94806 1/20 0.42
MET P08581 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
SCHEMBL3587281 0.86 TGFBR1 (0.62) ROCK2TGFBR1ROCK1CLK2BLK
SCHEMBL3580880 0.82 RET (0.64) RETKDRROCK2TGFBR1ROCK1
SCHEMBL221437 0.80 RET (0.66) RETKDRROCK2TGFBR1EGFR
SCHEMBL29677296 0.80 RET (0.66) RETKDRROCK2TGFBR1EGFR
SCHEMBL3583259 0.80 ROCK2 (0.64) RETKDRROCK2TGFBR1ROCK1
SCHEMBL13154702 0.79 RET (0.72) RETKDRROCK2TGFBR1EGFR
SCHEMBL13316009 0.78 RET (0.66) RETKDRROCK2TGFBR1EGFR
SCHEMBL2454370 0.78 RET (0.71) RETKDRROCK2EGFRROCK1
SCHEMBL13154704 0.77 RET (0.70) RETKDRROCK2EGFRROCK1
SCHEMBL3588668 0.76 RET (0.61) RETKDRROCK2TGFBR1EGFR

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-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed