SCHEMBL5377929

SCHEMBL5377929

CC(C)N(c1sc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SYK P43405 6/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL5377933 1.00 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL4148693 0.87 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL4148687 0.87 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYKAURKADAPK3
Ammonia Solution, Strong SCHEMBL4153549 0.86 APOBEC3A (0.34) APOBEC3AAPOBEC3GSYKAURKADAPK3
Ammonia Solution, Strong SCHEMBL4153546 0.86 APOBEC3A (0.34) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL13852252 0.84 APOBEC3A (0.32) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL4155376 0.83 SYK (0.32) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL4155381 0.83 SYK (0.32) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL5599054 0.83 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYKAURKADAPK3
SCHEMBL5599047 0.83 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYKAURKADAPK3

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-2007088148-A1 DERIVATIVES OF THIOPHENE CARBOXILIC ACID AS ANTIVIRAL AGENT SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 WO disclosed