SCHEMBL7364174

SCHEMBL7364174

O=c1nnc(-c2ccc3c(c2)OCO3)c2[nH]cccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46

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
SCHEMBL7370627 0.75 MAOB (0.51) KDM4EALDH1A1KMT2AADORA2AADORA1
SCHEMBL7366172 0.74 GAPDH (0.47) KDRCHEK1AURKADAPK3JAK2
SCHEMBL7369411 0.74 RAB9A (0.42) RAB9AKDM4ENPC1ALDH1A1MAPT
SCHEMBL7366344 0.74 MAOB (0.50) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7368926 0.71 CDK4 (0.47) PDGFRBRAB9AKDM4ENPC1ALDH1A1
SCHEMBL7370353 0.71 MAOB (0.53) KDRDYRK1ACLK4PDGFRBALDH1A1
SCHEMBL7367836 0.70 IKBKB (0.42) KDRMAP2K4ALDH1A1MAPK1MAPKAPK2
SCHEMBL7362866 0.70 MEN1 (0.44) PTPRCRAB9AKDM4ENPC1ALDH1A1
SCHEMBL7365581 0.68 CDK8 (0.48) RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL7364007 0.68 IDO1 (0.48) KDRPTPRCMAP2K4RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed