SCHEMBL20352022

SCHEMBL20352022

CO/C(N)=N\CC(=O)Nc1cc(-c2cnn(C3CCN(C(=O)CN(C)C)CC3)c2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 7/20 0.46
▸ MET P08581 8/20 0.43
▸ PIK3CD O00329 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SOS1 Q07889 1/20 0.37
▸ RET P07949 2/20 0.36

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
SCHEMBL20338912 0.79 PAICS (0.72) PAICS
SCHEMBL21571620 0.71 PAICS (0.73) PAICS
SCHEMBL20352046 0.71 PAICS (0.49) PAICSMET
SCHEMBL20340347 0.70 PAICS (0.70) PAICS
SCHEMBL20351947 0.70 PAICS (0.52) PAICSMET
SCHEMBL24247856 0.68 PAICS (0.69) PAICS
SCHEMBL21571622 0.67 PAICS (0.70) PAICS
SCHEMBL24247969 0.66 PAICS (0.48) PAICSMETRET
SCHEMBL12179247 0.65 PIK3CA (0.46) METPIK3CDKDRPIK3CAPIK3CB
SCHEMBL1581859 0.65 MET (0.71) METKDRPIK3CAEGFRRET

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-2018122550-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
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