SCHEMBL19787592

SCHEMBL19787592

Fc1ccc(Nc2nc(Cl)nc(Cl)c2Br)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TP53 P04637 2/20 0.37
EGFR P00533 1/20 0.36
TDO2 P48775 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AURKA O14965 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
APP P05067 1/20 0.36
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL19787673 0.88 APP (0.46) MAPK1GAADYRK1ADYRK1BAPP
SCHEMBL19787605 0.81 TXN (0.50) MAPK1KMT2AMEN1GAATP53
SCHEMBL19787669 0.75 TRPA1 (0.45) EGFRAPPLMNA
SCHEMBL19787631 0.73 EGFR (0.37) KMT2AEGFRAURKABCDIN3DAPP
SCHEMBL16684821 0.72 MEN1 (0.43) ALOX15MAPK1KMT2AMEN1GAA
SCHEMBL5845356 0.71 THRB (0.46) ALOX15MAPK1KMT2AMEN1DYRK1A
SCHEMBL24596185 0.70 ALOX15 (0.38) ALOX15MAPK1KMT2AMEN1GAA
SCHEMBL16684919 0.70 EGFR (0.47) MAPK1KMT2AMEN1GAADYRK1A
SCHEMBL13578886 0.69 MAPK1 (0.50) ALOX15MAPK1KMT2AMEN1GAA
SCHEMBL15489510 0.67 AURKA (0.57) ALOX15MAPK1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415369-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
CN-109311877-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-05-28 CN disclosed
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
EP-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
WO-2018011164-A1 FUSED PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO disclosed