SCHEMBL6431463

SCHEMBL6431463

N#Cc1cc2c(=O)cc[nH]c2cc1OCCCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SRC P12931 7/20 0.44
IDH1 O75874 2/20 0.43
MAP2K1 Q02750 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.41
FYN P06241 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ACHE P22303 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41

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
SCHEMBL6433993 0.83 SRC (0.56) HRH3SRCKDM4EABL1EGFR
SCHEMBL1892646 0.77 PRKCQ (0.40) SRCEGFRERBB2
SCHEMBL6431609 0.74 HRH3 (0.52) SIGMAR1HRH2HRH1HRH3SRC
SCHEMBL6464138 0.74 SRC (0.57) SRCMAP2K1FYNABL1BCR
SCHEMBL6431234 0.73 EHMT2 (0.53) HRH3ACHE
SCHEMBL6052299 0.72 HRH3 (0.52) SIGMAR1HRH2HRH1HRH3SRC
SCHEMBL8796387 0.71 KDM4E (0.64) SIGMAR1HRH2HRH1HRH3KDM4E
SCHEMBL29531493 0.71 KDM4E (0.64) SIGMAR1HRH2HRH1HRH3KDM4E
SCHEMBL1891358 0.71 IMPDH2 (0.50) IDH1KDM4E
SCHEMBL17652775 0.70 CYP1A2 (0.57) HRH2HRH1HRH3KDM4EEGFR

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
EP-0929526-B1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6809097-B1 ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY ZENECA LIMITED (GB) 2004-10-26 US disclosed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO disclosed