SCHEMBL10270841

SCHEMBL10270841

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OC(C)c4cccc(F)c4C(F)(F)F)c3)cc2)C[C@@H](C)N1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.66
JAK2 O60674 7/20 0.42
KCNH2 Q12809 4/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
NEK2 P51955 1/20 0.39
PLK1 P53350 1/20 0.39
ALK Q9UM73 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
SCHEMBL30453289 1.00 MET (0.66) METJAK2KCNH2JAK1TYK2
SCHEMBL488357 1.00 MET (0.66) METJAK2KCNH2JAK1TYK2
SCHEMBL488376 0.88 MET (0.67) METJAK2KCNH2JAK1TYK2
SCHEMBL30453770 0.88 MET (0.67) METJAK2KCNH2JAK1TYK2
SCHEMBL488583 0.88 MET (0.65) METJAK2KCNH2AURKACDK2
SCHEMBL30454349 0.88 MET (0.65) METJAK2KCNH2AURKACDK2
SCHEMBL10215074 0.88 MET (0.65) METJAK2KCNH2AURKACDK2
SCHEMBL30453581 0.87 KCNH2 (0.55) METJAK2KCNH2
SCHEMBL488565 0.87 KCNH2 (0.55) METJAK2KCNH2
SCHEMBL10270463 0.85 MET (0.66) METJAK2KCNH2JAK1TYK2

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
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed