SCHEMBL28849902

SCHEMBL28849902

CCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(Oc4cc(NC(=O)C5CC5)ncn4)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 18/20 0.67
▸ BRAF P15056 5/20 0.66
▸ AXL P30530 2/20 0.64
▸ FLT3 P36888 2/20 0.64
▸ MERTK Q12866 2/20 0.64
▸ HCK P08631 2/20 0.64
▸ STK25 O00506 1/20 0.64
▸ CIT O14578 1/20 0.64
▸ MAP2K7 O14733 1/20 0.64
▸ IKBKB O14920 1/20 0.64
▸ AURKA O14965 1/20 0.64
▸ GAK O14976 1/20 0.64
▸ CHUK O15111 1/20 0.64
▸ MUSK O15146 1/20 0.64
▸ MAPK13 O15264 1/20 0.64
▸ MAP3K13 O43283 1/20 0.64
▸ DAPK3 O43293 1/20 0.64
▸ MAP3K7 O43318 1/20 0.64
▸ RIPK2 O43353 1/20 0.64
▸ JAK2 O60674 1/20 0.64

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
SCHEMBL28849935 0.85 KDR (0.81) KDRBRAF
SCHEMBL28849906 0.83 KDR (0.79) KDRBRAF
SCHEMBL21939208 0.82 AXL (0.76) KDRBRAFAXLFLT3MERTK
SCHEMBL29678309 0.82 AXL (0.76) KDRBRAFAXLFLT3MERTK
SCHEMBL29827613 0.81 KDR (0.85) KDRBRAF
SCHEMBL22541638 0.81 KDR (0.85) KDRBRAF
SCHEMBL16907602 0.81 KDR (1.00) KDRBRAF
SCHEMBL30513594 0.81 KDR (1.00) KDRBRAF
SCHEMBL28849922 0.80 KDR (0.79) KDRBRAF
SCHEMBL30513595 0.80 KDR (0.79) KDRBRAF

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-115108998-A Compound for resisting hepatitis B virus and application thereof 重庆医科大学 2022-09-27 — — CN disclosed
Send feedback