SCHEMBL3388504

SCHEMBL3388504

CC(Oc1cc(-c2cnn(C3CCN(CC(=O)O)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.73
▸ ALK Q9UM73 7/20 0.73
▸ MAP4K3 Q8IVH8 6/20 0.73
▸ JAK2 O60674 5/20 0.73
▸ JAK3 P52333 3/20 0.73
▸ PLK4 O00444 2/20 0.73
▸ AURKA O14965 2/20 0.73
▸ DCLK1 O15075 2/20 0.73
▸ PRKD3 O94806 2/20 0.73
▸ ABL1 P00519 2/20 0.73
▸ NTRK1 P04629 2/20 0.73
▸ INSR P06213 2/20 0.73
▸ LCK P06239 2/20 0.73
▸ FES P07332 2/20 0.73
▸ CSF1R P07333 2/20 0.73
▸ LYN P07948 2/20 0.73
▸ RET P07949 2/20 0.73
▸ IGF1R P08069 2/20 0.73
▸ ROS1 P08922 2/20 0.73
▸ SRC P12931 2/20 0.73

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
SCHEMBL1581714 0.94 MET (0.76) METALKMAP4K3JAK2JAK3
SCHEMBL13005800 0.93 MET (0.71) METALKMAP4K3JAK2JAK3
SCHEMBL30751188 0.92 MET (0.69) METALKMAP4K3JAK2JAK3
SCHEMBL3387217 0.90 MET (0.76) METALKMAP4K3JAK2JAK3
SCHEMBL19718102 0.90 MET (0.76) METALKMAP4K3JAK2JAK3
SCHEMBL14821427 0.90 MET (0.78) METALKMAP4K3JAK2JAK3
SCHEMBL16085088 0.90 MET (0.78) METALKMAP4K3JAK2JAK3
SCHEMBL3391037 0.90 MET (0.78) METALKMAP4K3JAK2JAK3
SCHEMBL30751189 0.90 MET (0.67) METALKMAP4K3JAK2JAK3
SCHEMBL30751244 0.90 MET (0.67) METALKMAP4K3JAK2JAK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214227-A Heterocyclic compound and application thereof 上海青玄生物科技有限公司 2021-08-06 — — CN disclosed
CN-111285849-A Compound for targeted degradation of ALK, c-Met and ROS1 proteins and preparation method thereof 上海青东生物科技有限公司 2020-06-16 — — CN disclosed
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 — — EP disclosed
EP-1784396-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-16 — — EP disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 — — WO disclosed
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