SCHEMBL8821169

SCHEMBL8821169

Cc1cccc2[nH]c(=O)n3ncnc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
AURKA O14965 2/20 0.48
CHEK1 O14757 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
PDGFRB P09619 1/20 0.48
PIM1 P11309 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 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
SCHEMBL8821148 0.82 FEN1 (0.50) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821157 0.82 CHEK1 (0.55) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8860089 0.82 CHEK1 (0.48) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821181 0.82 CHEK1 (0.51) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821152 0.82 CHEK1 (0.45) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821149 0.82 CHEK1 (0.45) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821162 0.82 CHEK1 (0.45) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL12225071 0.80 MAPK14 (0.49) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821129 0.79 MAP2K1 (0.45) MAPK14AURKACHEK1DAPK3JAK2
SCHEMBL8821182 0.77 MAPK14 (0.48) MAPK14AURKACHEK1DAPK3JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631261-A CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
EP-0673377-B1 NEW TRIAZOLOQUINAZOLINES, THEIR PRODUCTION AND THEIR USE BASF AG (DE) 1997-02-26 EP disclosed