SCHEMBL27629997

SCHEMBL27629997

Nc1ncc(-c2ccc([CH]N3CCCC3)cc2)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.61
MAP4K3 Q8IVH8 3/20 0.55
MAP4K4 O95819 1/20 0.43
NEK2 P51955 4/20 0.41
PIK3C3 Q8NEB9 1/20 0.39
PTPN1 P18031 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
SCHEMBL27630123 0.90 MET (0.51) METMAP4K3MAP4K4
SCHEMBL27650234 0.90 MET (0.51) METMAP4K3MAP4K4
SCHEMBL27629940 0.87 MET (0.48) METMAP4K3MAP4K4NEK2
SCHEMBL27629874 0.87 MET (0.50) METMAP4K3MAP4K4
SCHEMBL30453136 0.87 MAP4K3 (0.55) METMAP4K3MAP4K4NEK2PTPN1
SCHEMBL27630145 0.85 MET (0.47) METMAP4K3MAP4K4
SCHEMBL27630206 0.85 MET (0.59) METMAP4K3MAP4K4
SCHEMBL30454707 0.82 MAP4K3 (0.58) METMAP4K3MAP4K4
SCHEMBL487859 0.82 MAP4K3 (0.58) METMAP4K3MAP4K4
SCHEMBL27650130 0.81 MET (0.52) METMAP4K3MAP4K4

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