SCHEMBL6290983

SCHEMBL6290983

C(=C/c1[nH]cnc1-c1ccccc1)\c1ncccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.61
KDR P35968 1/20 0.61
TEK Q02763 1/20 0.61
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 1/20 0.50
IDO1 P14902 5/20 0.41
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.35
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL6295052 0.87 FLT1 (0.66) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL4774600 0.82 FLT1 (0.57) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL4774594 0.82 FLT1 (0.57) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL4774688 0.80 TEK (0.65) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL4774694 0.80 TEK (0.65) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL8913214 0.77 FLT1 (0.51) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL8913217 0.77 FLT1 (0.51) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL4103303 0.77 KDM4E (0.55) FLT1KDRTEKKDM4ECYP3A4
SCHEMBL4775402 0.76 TEK (1.00) FLT1KDRTEKKDM4EMAPT
SCHEMBL4775408 0.76 TEK (1.00) FLT1KDRTEKKDM4EMAPT

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
EP-1575963-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058776-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed