SCHEMBL13574022

SCHEMBL13574022

Cc1cc(F)c2nc(Nc3cc(CN4CCCCC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.44
▸ DYRK1A Q13627 5/20 0.44
▸ WNT1 P04628 3/20 0.40
▸ MAP4K1 Q92918 2/20 0.38
▸ CDK2 P24941 5/20 0.38
▸ CCNB2 O95067 3/20 0.38
▸ CDK1 P06493 3/20 0.38
▸ CCNB1 P14635 3/20 0.38
▸ CDK5 Q00535 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ CCNB3 Q8WWL7 3/20 0.38
▸ CCNE2 O96020 3/20 0.38
▸ CCNE1 P24864 3/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ AXL P30530 2/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.37
▸ TTK P33981 4/20 0.37
▸ CCNA2 P20248 2/20 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
SCHEMBL13574026 0.90 GSK3B (0.43) GSK3BDYRK1AWNT1MAP4K1CDK2
SCHEMBL13336128 0.90 GSK3B (0.43) GSK3BDYRK1AWNT1MAP4K1CDK2
SCHEMBL13336219 0.88 GSK3B (0.42) GSK3BDYRK1AWNT1MAP4K1CDK2
SCHEMBL13573972 0.84 MAP4K1 (0.44) GSK3BDYRK1AWNT1MAP4K1TYRO3
SCHEMBL13573976 0.83 MAP4K1 (0.44) GSK3BDYRK1AWNT1MAP4K1TYRO3
SCHEMBL13574038 0.82 TYRO3 (0.41) GSK3BDYRK1AWNT1MAP4K1CDK2
SCHEMBL13336131 0.82 TYRO3 (0.41) GSK3BDYRK1AWNT1MAP4K1CDK2
SCHEMBL13336248 0.80 SYK (0.44) GSK3BDYRK1AWNT1CDK1TTK
SCHEMBL13336218 0.80 TYRO3 (0.39) GSK3BDYRK1AWNT1MAP4K1CDK2
SCHEMBL13336028 0.80 MAP4K1 (0.43) GSK3BDYRK1AWNT1MAP4K1TYRO3

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
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