SCHEMBL28107726

SCHEMBL28107726

O=C(Nc1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.73
▸ FLT4 P35916 10/20 0.70
▸ KDR P35968 4/20 0.70

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
SCHEMBL28107724 0.88 FLT4 (0.69) PTK2FLT4KDR
SCHEMBL28107721 0.85 FLT4 (0.54) PTK2FLT4KDR
SCHEMBL12478131 0.84 PTK2 (1.00) PTK2FLT4KDR
SCHEMBL15566846 0.84 FLT4 (0.69) PTK2FLT4KDR
SCHEMBL27933742 0.83 PTK2 (0.78) PTK2FLT4KDR
SCHEMBL15502384 0.83 FLT4 (1.00) PTK2FLT4KDR
SCHEMBL28019630 0.82 FLT4 (0.69) PTK2FLT4
SCHEMBL15506719 0.82 FLT4 (0.95) PTK2FLT4KDR
SCHEMBL12477968 0.82 PTK2 (1.00) PTK2FLT4KDR
SCHEMBL20450361 0.82 PTK2 (0.77) PTK2FLT4KDR

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-104736533-B Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2016-12-07 — — CN disclosed
Send feedback