SCHEMBL5311599

SCHEMBL5311599

CC(C)N(C(=O)c1ccc2occc2c1)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
KMO O15229 1/20 0.33
CTNNB1 P35222 3/20 0.32
WNT3A P56704 3/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
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

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
SCHEMBL5309402 0.91 CA12 (0.37) MAPK14JAK2MEN1KMT2AKDM4E
SCHEMBL5309338 0.86 IRAK4 (0.38) APOBEC3AAPOBEC3GAURKAKDM5BMEN1
SCHEMBL5306834 0.85 PDE4A (0.37) APOBEC3AAPOBEC3GAURKADAPK3JAK2
SCHEMBL5312693 0.85 APOBEC3A (0.35) KMOAPOBEC3AAPOBEC3GAURKADAPK3
SCHEMBL5310044 0.85 MEN1 (0.39) APOBEC3AAPOBEC3GAURKADAPK3JAK2
SCHEMBL5309593 0.85 HPGD (0.39) APOBEC3AAPOBEC3GAURKAMAP4K4MEN1
SCHEMBL5310626 0.83 ALKBH5 (0.36) APOBEC3AAPOBEC3GKDM2BKDM4C
SCHEMBL5306949 0.82 APOBEC3A (0.38) APOBEC3AAPOBEC3GKDM5BMEN1KMT2A
SCHEMBL5312653 0.81 APOBEC3A (0.35) APOBEC3AAPOBEC3GNTRK1MEN1KMT2A
SCHEMBL5309825 0.81 IRAK4 (0.36) APOBEC3AAPOBEC3GAURKADAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO claimed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed