SCHEMBL10125285

SCHEMBL10125285

CN(c1ccccc1CCc1ccnc(Nc2ccc(N3CCCCC3=O)c(N)c2)n1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 17/20 0.42
JAK2 O60674 11/20 0.42
JAK3 P52333 8/20 0.42
PTK2B Q14289 6/20 0.39
AURKA O14965 1/20 0.37
BRD4 O60885 1/20 0.37
EGFR P00533 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
SCHEMBL669812 0.90 PTK2 (0.40) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL670106 0.86 PTK2 (0.51) PTK2JAK2JAK3PTK2B
SCHEMBL10125265 0.83 PTK2 (0.41) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL670088 0.80 PTK2 (0.44) PTK2JAK2JAK3PTK2B
SCHEMBL669539 0.79 SYK (0.58) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL670504 0.77 PTK2 (0.57) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL669740 0.76 JAK2 (0.49) PTK2JAK2JAK3
SCHEMBL670057 0.76 PTK2 (0.54) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL668640 0.76 PTK2 (0.47) PTK2JAK2JAK3PTK2B
SCHEMBL670544 0.75 PTK2 (0.63) PTK2JAK2JAK3PTK2BAURKA

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
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed