SCHEMBL1571748

SCHEMBL1571748

CC(C=O)N(NCCOc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 6/20 0.33
▸ MAP4K1 Q92918 2/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ BRAF P15056 3/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ CHEK1 O14757 2/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ BLK P51451 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31

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
SCHEMBL1571094 0.92 FGFR4 (0.32) DDR2MAP4K1MAP4K3BRAFCCNK
SCHEMBL1571096 0.92 FGFR4 (0.32) DDR2MAP4K1MAP4K3BRAFCCNK
SCHEMBL4423231 0.83 MAP4K1 (0.38) DDR2MAP4K1MAP4K3BRAFCCNA2
SCHEMBL1571675 0.83 BRAF (0.36) DDR2MAP4K1MAP4K3BRAF
SCHEMBL1571982 0.82 DDR2 (0.36) DDR2MAP4K1MAP4K3BRAFTYRO3
SCHEMBL1571351 0.82 GSK3B (0.39) DDR2MAP4K1MAP4K3BRAFTYRO3
SCHEMBL1571762 0.82 MAP4K1 (0.39) MAP4K1MAP4K3BRAFCCNA2CDK2
SCHEMBL1571444 0.81 SYK (0.38) DDR2MAP4K1MAP4K3CCNA2CDK2
SCHEMBL1572647 0.81 BRAF (0.41) DDR2BRAFPIK3CA
SCHEMBL1571606 0.80 MAP4K1 (0.38) MAP4K1MAP4K3BRAFCCNA2CDK2

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-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
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