SCHEMBL21431939

SCHEMBL21431939

COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)c(C)c3)c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 15/20 0.81
▸ RET P07949 5/20 0.71
▸ TEK Q02763 2/20 0.60
▸ AURKA O14965 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ MET P08581 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ STK10 O94804 1/20 0.58
▸ CSF1R P07333 1/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ KIT P10721 1/20 0.58
▸ FLT1 P17948 1/20 0.58
▸ TIE1 P35590 1/20 0.58
▸ FLT4 P35916 1/20 0.58
▸ FLT3 P36888 1/20 0.58
▸ MERTK Q12866 1/20 0.58

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
SCHEMBL28533834 0.95 AXL (0.82) AXLRETTEKAURKALCK
SCHEMBL21431951 0.92 AXL (0.80) AXLRETTEKAURKALCK
SCHEMBL30216601 0.92 AXL (0.80) AXLRETTEKAURKALCK
SCHEMBL21408207 0.89 AXL (1.00) AXLRETTEKSTK10CSF1R
SCHEMBL30216608 0.89 AXL (1.00) AXLRETTEKSTK10CSF1R
SCHEMBL30216593 0.87 AXL (0.79) AXLRETTEKSTK10CSF1R
SCHEMBL28521070 0.87 AXL (0.79) AXLRETTEKSTK10CSF1R
SCHEMBL21432108 0.86 AXL (1.00) AXLRETTEKSTK10CSF1R
SCHEMBL21432109 0.85 AXL (1.00) AXLRETTEKSTK10CSF1R
SCHEMBL21408216 0.82 AXL (1.00) AXLRETTEKSTK10CSF1R

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-112313213-B 3-amino pyrazole compound and application thereof 上海海和药物研究开发股份有限公司 2023-01-31 — — CN claimed
CN-112313213-A 3-amino pyrazole compound and application thereof 上海海和药物研究开发股份有限公司 2021-02-02 — — CN claimed
CN-112313213-B 3-amino pyrazole compound and application thereof 上海海和药物研究开发股份有限公司 2023-01-31 — — CN disclosed
CN-112313213-A 3-amino pyrazole compound and application thereof 上海海和药物研究开发股份有限公司 2021-02-02 — — CN disclosed
WO-2019184918-A1 3-AMINOPYRAZOLE COMPOUND AND APPLICATION THEREOF 暨南大学 2019-10-03 — — WO disclosed
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