SCHEMBL1571982

SCHEMBL1571982

CC(COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 11/20 0.36
▸ MAP4K3 Q8IVH8 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ TTK P33981 2/20 0.34
▸ JUN P05412 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33

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
SCHEMBL1572812 0.91 GSK3B (0.38) DDR2MAP4K3MAP4K1MAPK1TTK
SCHEMBL1571672 0.91 GSK3B (0.38) DDR2MAP4K3MAP4K1MAPK1TTK
SCHEMBL1572814 0.91 GSK3B (0.38) DDR2MAP4K3MAP4K1MAPK1TTK
SCHEMBL1572755 0.88 MAP4K1 (0.38) MAP4K3MAP4K1TTKJUNMAPK8
SCHEMBL1571606 0.88 MAP4K1 (0.38) MAP4K3MAP4K1TTKJUNMAPK8
SCHEMBL4423231 0.88 MAP4K1 (0.38) DDR2MAP4K3MAP4K1MAPK1TTK
SCHEMBL1571877 0.88 MAP4K1 (0.38) MAP4K3MAP4K1TTKJUNMAPK8
SCHEMBL1571511 0.86 ACACB (0.40) DDR2MAP4K3MAP4K1MAPK1BRAF
SCHEMBL1571444 0.86 SYK (0.38) DDR2MAP4K3MAP4K1TTKJUN
SCHEMBL1870122 0.85 MAPK1 (0.35) DDR2MAP4K3MAP4K1MAPK1TTK

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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