SCHEMBL27630255

SCHEMBL27630255

CN(C)c1ccc(-c2cnc(N)c(OCc3ccccc3C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K3 Q8IVH8 2/20 0.55
▸ MET P08581 3/20 0.52
▸ MAP4K4 O95819 1/20 0.44
▸ NEK2 P51955 3/20 0.41
▸ PLK1 P53350 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ FYN P06241 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL487859 0.86 MAP4K3 (0.58) MAP4K3METMAP4K4PLK1IDO1
SCHEMBL30454707 0.86 MAP4K3 (0.58) MAP4K3METMAP4K4PLK1IDO1
SCHEMBL27629924 0.83 MET (0.56) MAP4K3METMAP4K4FYNPDGFRB
SCHEMBL30453136 0.83 MAP4K3 (0.55) MAP4K3METMAP4K4NEK2PLK1
SCHEMBL30453475 0.82 MAP4K4 (0.69) MAP4K3METMAP4K4MAOB
SCHEMBL488215 0.82 MAP4K4 (0.69) MAP4K3METMAP4K4MAOB
SCHEMBL27629997 0.79 MET (0.61) MAP4K3METMAP4K4NEK2PIK3C3
SCHEMBL488094 0.78 MAP4K3 (0.52) MAP4K3METMAP4K4FYN
SCHEMBL27630151 0.77 MET (0.48) MAP4K3METMAP4K4FYNPDGFRB
SCHEMBL488609 0.77 MAP4K3 (0.52) MAP4K3METMAP4K4NEK2PLK1

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
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 — — CN disclosed
Send feedback