SCHEMBL13573972

SCHEMBL13573972

Cc1ccc2nc(Nc3cc(CN4CCCCC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.44
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ BRAF P15056 2/20 0.41
▸ GSK3B P49841 5/20 0.40
▸ DYRK1A Q13627 5/20 0.40
▸ WNT1 P04628 3/20 0.40
▸ JUN P05412 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ TYRO3 Q06418 2/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ MET P08581 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL13573976 0.99 MAP4K1 (0.44) MAP4K1MAP4K3BRAFGSK3BDYRK1A
SCHEMBL13362896 0.90 MAP4K1 (0.43) MAP4K1MAP4K3BRAFGSK3BDYRK1A
SCHEMBL13336028 0.90 MAP4K1 (0.43) MAP4K1MAP4K3BRAFGSK3BDYRK1A
SCHEMBL13574019 0.90 GRM2 (0.42) MAP4K1MAP4K3GSK3BDYRK1AWNT1
SCHEMBL13574033 0.90 MAP4K1 (0.43) MAP4K1MAP4K3GSK3BDYRK1AWNT1
SCHEMBL13336031 0.88 MAP4K1 (0.42) MAP4K1MAP4K3BRAFGSK3BDYRK1A
SCHEMBL13336034 0.87 MAP4K1 (0.42) MAP4K1MAP4K3BRAFGSK3BDYRK1A
SCHEMBL13363267 0.85 BRAF (0.54) MAP4K1MAP4K3BRAFACHESYK
SCHEMBL13574009 0.85 FGFR1 (0.41) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13574022 0.84 GSK3B (0.44) MAP4K1MAP4K3GSK3BDYRK1AWNT1

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-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
Send feedback