Crizotinib

Crizotinib

SCHEMBL30129754

CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ALKEML4METMST1RNPM1ROS1

The experimentally established mechanism targets of Crizotinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET known ✓ P08581 11/20 1.00
ALK known ✓ Q9UM73 7/20 1.00
ROS1 known ✓ P08922 2/20 1.00
MST1R known ✓ Q04912 2/20 1.00
NPM1 known ✓ P06748 1/20 1.00
EML4 known ✓ Q9HC35 1/20 1.00
JAK2 O60674 7/20 1.00
MAP4K3 Q8IVH8 7/20 1.00
JAK3 P52333 4/20 1.00
JAK1 P23458 3/20 1.00
TYK2 P29597 3/20 1.00
PLK4 O00444 2/20 1.00
AURKA O14965 2/20 1.00
DCLK1 O15075 2/20 1.00
PRKD3 O94806 2/20 1.00
ABL1 P00519 2/20 1.00
NTRK1 P04629 2/20 1.00
INSR P06213 2/20 1.00
LCK P06239 2/20 1.00
FES P07332 2/20 1.00

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
Crizotinib SCHEMBL93829 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL14811801 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL94020 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL29622387 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL29831970 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL28844303 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL28844302 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL29351506 1.00 MET (1.00) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL29831273 0.99 MET (0.98) METALKJAK2MAP4K3JAK3
Crizotinib SCHEMBL1827232 0.95 MET (0.91) METALKJAK2MAP4K3JAK3

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-112547019-B Method for resolving racemic crizotinib 上海工程技术大学 2022-12-20 CN disclosed