SCHEMBL6434987

SCHEMBL6434987

CC1(C)OC(=O)C(=CNc2ccc(C#N)c(OCCCN3CCOCC3)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.47
MAP2K1 Q02750 13/20 0.44
RAF1 P04049 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPK3 P27361 1/20 0.43
EPHX2 P34913 3/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL6431158 0.87 TSHR (0.47) MAP2K1MAPK1EPHX2EGFRALDH1A1
SCHEMBL6431219 0.81 ALDH1A1 (0.50) MAPK1ALDH1A1HSD17B10
SCHEMBL6430655 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1HSD17B10
SCHEMBL1890082 0.77 ALDH1A1 (0.60) IDH1MAPK1ALDH1A1HSD17B10
SCHEMBL6431150 0.77 ALDH1A1 (0.51) IDH1MAPK1ALDH1A1HSD17B10
SCHEMBL6431609 0.72 HRH3 (0.52) MAP2K1MAPK1ALDH1A1HSD17B10
SCHEMBL29531493 0.72 KDM4E (0.64) MAPK1ALDH1A1
SCHEMBL8796387 0.72 KDM4E (0.64) MAPK1ALDH1A1
SCHEMBL16619546 0.69 ALDH1A1 (0.46) MAPK1ALDH1A1HSD17B10
SCHEMBL31125082 0.69 EPHX2 (0.51) IDH1MAP2K1RAF1EPHX2

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