SCHEMBL7365844

SCHEMBL7365844

CC(c1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.44
AURKA O14965 3/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
PRKX P51817 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MST1R Q04912 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL7362494 0.83 RPS6KB1 (0.42) PARP1AURKAPLK4CHEK1DAPK3
SCHEMBL7362374 0.79 PARP1 (0.40) PARP1AURKAPLK4CHEK1DAPK3
SCHEMBL18776137 0.75 KDM5A (0.43) KMT2ADHODH
SCHEMBL871830 0.74 PARP1 (0.58) PARP1AURKAPLK4CHEK1DAPK3
SCHEMBL3579908 0.73 PARP1 (0.61) PARP1PLK4MAP4K4PRKXROCK1
SCHEMBL6939187 0.73 PIM1 (0.47) PARP1AURKAPLK4CHEK1DAPK3
SCHEMBL1933250 0.72 PLK4 (0.50) PARP1AURKAPLK4CHEK1DAPK3
SCHEMBL3351170 0.72 IRAK4 (0.47) PARP1AURKARPS6KB1AURKB
SCHEMBL4786305 0.72 IRAK4 (0.47) PARP1AURKARPS6KB1AURKB
SCHEMBL3650281 0.72 IRAK4 (0.47) PARP1AURKARPS6KB1AURKB

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
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed