SCHEMBL5599047

SCHEMBL5599047

CC(C)N(c1oc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KMT2A Q03164 1/20 0.32
SYK P43405 2/20 0.32
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAPK8 P45983 1/20 0.31
CDK8 P49336 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL5599054 1.00 APOBEC3A (0.35) APOBEC3AAPOBEC3GKMT2ASYKAURKA
SCHEMBL14370493 0.91 HPGD (0.36) KMT2A
SCHEMBL14370498 0.84 APOBEC3A (0.32) APOBEC3AAPOBEC3G
SCHEMBL5599399 0.84 ALDH1A1 (0.35) APOBEC3AAPOBEC3GSYK
SCHEMBL5599403 0.84 ALDH1A1 (0.35) APOBEC3AAPOBEC3GSYK
SCHEMBL5377933 0.83 APOBEC3A (0.35) APOBEC3AAPOBEC3GKMT2ASYKAURKA
SCHEMBL5377929 0.83 APOBEC3A (0.35) APOBEC3AAPOBEC3GKMT2ASYKAURKA
SCHEMBL5411701 0.82 APOBEC3A (0.34) APOBEC3AAPOBEC3GKMT2ASYKAURKA
SCHEMBL5411692 0.82 APOBEC3A (0.34) APOBEC3AAPOBEC3GKMT2ASYKAURKA
SCHEMBL14370466 0.82 ALDH1A1 (0.40) KMT2AKDRGSK3B

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
WO-2007147794-A1 FURAN DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed
WO-2007147794-A1 FURAN DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed