SCHEMBL27630181

SCHEMBL27630181

CN(C)c1ccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.51
JAK2 O60674 2/20 0.48
MAP4K3 Q8IVH8 1/20 0.48
MAP4K4 O95819 1/20 0.40
ALK Q9UM73 3/20 0.40
ROS1 P08922 1/20 0.40
FYN P06241 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL27630082 0.88 FYN (0.50) METJAK2MAP4K3ALKROS1
SCHEMBL3122066 0.87 MET (0.56) METJAK2MAP4K3MAP4K4ALK
SCHEMBL27630135 0.87 MET (0.64) METJAK2MAP4K3MAP4K4FYN
SCHEMBL487679 0.85 MET (0.57) METJAK2MAP4K3MAP4K4ALK
SCHEMBL488147 0.84 MET (0.52) METJAK2MAP4K3MAP4K4
SCHEMBL30452799 0.84 MET (0.52) METJAK2MAP4K3MAP4K4ALK
SCHEMBL488295 0.84 MET (0.52) METJAK2MAP4K3MAP4K4ALK
SCHEMBL30453038 0.84 MET (0.52) METJAK2MAP4K3MAP4K4
SCHEMBL28756897 0.83 MET (0.51) METJAK2MAP4K3MAP4K4ALK
SCHEMBL27630129 0.83 MET (0.74) METJAK2MAP4K3MAP4K4FYN

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