SCHEMBL27630082

SCHEMBL27630082

CN(C)c1cccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.50
MET P08581 6/20 0.48
JAK2 O60674 2/20 0.46
MAP4K3 Q8IVH8 1/20 0.46
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL27630181 0.88 MET (0.51) FYNMETJAK2MAP4K3ROS1
SCHEMBL5480975 0.86 MET (0.53) FYNMETJAK2MAP4K3ALK
SCHEMBL487679 0.84 MET (0.57) FYNMETJAK2MAP4K3ALK
SCHEMBL487842 0.81 JAK2 (0.60) FYNMETJAK2MAP4K3
SCHEMBL30453168 0.81 JAK2 (0.60) FYNMETJAK2MAP4K3
SCHEMBL5480970 0.80 MET (0.53) FYNMETJAK2MAP4K3ALK
SCHEMBL488121 0.80 MAP4K4 (0.54) METJAK2MAP4K3
SCHEMBL30453459 0.80 MAP4K4 (0.54) METJAK2MAP4K3
SCHEMBL27630135 0.80 MET (0.64) FYNMETJAK2MAP4K3
SCHEMBL3122066 0.80 MET (0.56) FYNMETJAK2MAP4K3ALK

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