SCHEMBL5330182

SCHEMBL5330182

COC(=O)c1cn2cc(Br)nc2c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
PTGS2 P35354 1/20 0.38
MAP2K1 Q02750 4/20 0.37
SMC2 O95347 1/20 0.37
EGFR P00533 1/20 0.37
CSNK2A2 P19784 1/20 0.37
MAP2K2 P36507 1/20 0.37
SMC1A Q14683 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35

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
SCHEMBL1343797 0.84 MAP2K1 (0.39) L3MBTL1PTGS2MAP2K1SMC2EGFR
SCHEMBL3974319 0.82 SRC (0.39) L3MBTL1PTGS2MAP2K1SMC2EGFR
SCHEMBL3973788 0.79 MAP2K1 (0.38) L3MBTL1PTGS2MAP2K1SMC2EGFR
SCHEMBL3979226 0.78 SRC (0.38) L3MBTL1PTGS2MAP2K1SMC2EGFR
SCHEMBL13842074 0.78 GAA (0.40) L3MBTL1PTGS2MAP2K1SMC2EGFR
SCHEMBL13842022 0.77 MAP2K1 (0.45) L3MBTL1MAP2K1SMC2EGFRCSNK2A2
SCHEMBL3974727 0.77 GAA (0.37) PTGS2MAP2K1SMC2EGFRCSNK2A2
SCHEMBL3978828 0.76 CSF1R (0.43) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1341369 0.76 MAP2K1 (0.53) L3MBTL1PTGS2MAP2K1SMC2EGFR
SCHEMBL4239049 0.75 MAP2K1 (0.47) MAP2K1MAP2K2

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-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed