SCHEMBL13574101

SCHEMBL13574101

Cc1ccc2nc(Nc3cc(CN4CCOC(CO)C4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.44
▸ MAP4K1 Q92918 2/20 0.42
▸ MAP4K3 Q8IVH8 1/20 0.42
▸ GRM2 Q14416 9/20 0.42
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ JUN P05412 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ WNT1 P04628 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ NR1I2 O75469 2/20 0.37
▸ KCNH2 Q12809 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
SCHEMBL13362797 0.92 TTK (0.44) TTKMAP4K1MAP4K3GRM2FGFR1
SCHEMBL13336142 0.92 TTK (0.44) TTKMAP4K1MAP4K3GRM2FGFR1
SCHEMBL13336104 0.90 TTK (0.43) TTKMAP4K1MAP4K3GRM2FGFR1
SCHEMBL13573976 0.84 MAP4K1 (0.44) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL13573972 0.84 MAP4K1 (0.44) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL13336174 0.82 GRM2 (0.45) TTKMAP4K1MAP4K3GRM2FGFR1
SCHEMBL13574019 0.81 GRM2 (0.42) TTKMAP4K1MAP4K3GRM2FGFR1
SCHEMBL13574033 0.81 MAP4K1 (0.43) TTKMAP4K1MAP4K3FGFR1FGFR2
SCHEMBL13336181 0.80 GRM2 (0.43) TTKMAP4K1MAP4K3GRM2JUN
SCHEMBL13574110 0.79 MAP4K1 (0.46) MAP4K1KDRJUNMAPK8MAPK9

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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