SCHEMBL28041286

SCHEMBL28041286

[CH2]Cc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 17/20 0.56
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
JAK3 P52333 7/20 0.52
JAK2 O60674 6/20 0.50
IGF1R P08069 1/20 0.49
ALK Q9UM73 1/20 0.48

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
SCHEMBL10206189 0.87 PTK2 (0.54) PTK2FLT4KDRJAK3JAK2
SCHEMBL27933726 0.85 PTK2 (0.54) PTK2JAK3JAK2IGF1R
SCHEMBL14643618 0.85 PTK2 (0.79) PTK2FLT4KDR
SCHEMBL14643614 0.85 PTK2 (0.65) PTK2FLT4KDRJAK3
SCHEMBL15506716 0.84 PTK2 (0.52) PTK2FLT4KDRJAK3JAK2
SCHEMBL14617553 0.84 PTK2 (0.71) PTK2FLT4KDR
SCHEMBL15506717 0.84 PTK2 (0.49) PTK2FLT4KDRJAK3JAK2
SCHEMBL12479392 0.84 PTK2 (0.70) PTK2FLT4KDR
SCHEMBL12478760 0.84 PTK2 (0.70) PTK2FLT4KDR
SCHEMBL14577153 0.84 PTK2 (0.82) 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-103534241-B Fak inhibitor Cancer Therapeutics CRC Pty Ltd. (AU) 2015-11-25 CN disclosed