SCHEMBL3140650

SCHEMBL3140650

C[C@@H](Nc1cncc(-n2cnc(-c3ccccc3)c2)n1)c1ccccc1.C[C@H](Nc1cncc(-n2cnc3ccc(C(=O)NCCO)cc32)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
JAK3 P52333 15/20 0.42
JAK2 O60674 14/20 0.42
FYN P06241 2/20 0.42
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
BTK Q06187 2/20 0.42
LCK P06239 2/20 0.42
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL3148900 0.92 AURKA (0.54) AURKAAURKBJAK3JAK2FYN
SCHEMBL3148163 0.86 AURKA (0.54) AURKAAURKBJAK3JAK2FYN
SCHEMBL3260561 0.82 AURKA (0.54) AURKAAURKBJAK3JAK2FYN
SCHEMBL3260565 0.82 AURKA (0.54) AURKAAURKBJAK3JAK2FYN
SCHEMBL3147289 0.81 AURKA (0.59) AURKAAURKBJAK3JAK2FYN
SCHEMBL13478839 0.80 AURKA (0.50) AURKAAURKBJAK3JAK2LCK
SCHEMBL3149215 0.80 AURKA (0.59) AURKAAURKBJAK3JAK2FYN
SCHEMBL3144184 0.80 JAK2 (0.59) JAK3JAK2
SCHEMBL13666766 0.79 AURKA (0.54) AURKAAURKBJAK3JAK2FYN
SCHEMBL3139607 0.79 AURKA (0.62) AURKAAURKBJAK3JAK2FYN

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
EP-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP disclosed