SCHEMBL28677115

SCHEMBL28677115

NC(=O)Oc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.54
▸ LCK P06239 3/20 0.54
▸ TEK Q02763 3/20 0.54
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ BTK Q06187 5/20 0.39
▸ ADK P55263 2/20 0.38
▸ FLT3 P36888 3/20 0.35
▸ KDR P35968 2/20 0.35

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
SCHEMBL28675253 0.85 LCK (0.39) SRCLCKTEKCA12CA1
SCHEMBL30569254 0.82 LCK (0.42) SRCLCKTEKCA12CA1
SCHEMBL28898414 0.79 RIPK2 (0.52) SRCLCKTEKBTKFLT3
SCHEMBL28671849 0.75 FLT3 (0.45) SRCLCKTEKADKFLT3
SCHEMBL22418477 0.72 TEK (0.52) SRCLCKTEKFLT3KDR
SCHEMBL20351656 0.72 SRC (0.44) SRCLCKTEKCA12CA1
SCHEMBL20351791 0.71 FLT3 (0.46) SRCLCKTEKCA12CA1
SCHEMBL7006747 0.70 SRC (1.00) SRCLCKTEKBTKKDR
SCHEMBL2075215 0.70 TEK (0.83) SRCLCKTEKBTKKDR
SCHEMBL22418432 0.70 BTK (0.44) SRCLCKBTKADK

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-113683629-B Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2023-07-04 — — CN disclosed
CN-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 — — CN disclosed
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