SCHEMBL19633706

SCHEMBL19633706

COc1cc(COc2ccc3c(Oc4ccc([N+](=O)[O-])cc4)ccnc3c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 5/20 0.57
KDR P35968 4/20 0.57
MET P08581 1/20 0.45
TUBB1 Q9H4B7 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44

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
SCHEMBL19633688 0.91 KDR (0.52) PDGFRAKDRMETMAOB
SCHEMBL12003929 0.84 CTSV (0.50) PDGFRAKDRKDM4EMEN1POLB
SCHEMBL15537365 0.84 KDR (0.63) PDGFRAKDRMETFGFR2PDGFRB
SCHEMBL19633698 0.83 TUBB1 (0.57) METTUBB1TUBB4ATUBBTUBA3C
SCHEMBL19633697 0.81 GAK (0.53) PDGFRAKDRMETTUBB1TUBB4A
SCHEMBL19633823 0.81 PDGFRA (0.52) PDGFRAKDRMETMAOBPDGFRB
SCHEMBL19633628 0.80 PDGFRA (0.53) PDGFRAKDRMETHTTMEN1
SCHEMBL19633777 0.79 GAK (0.57) PDGFRAKDRGAKRIPK2COQ8A
SCHEMBL558651 0.79 PDGFRA (0.80) PDGFRAKDRMETFGFR2PDGFRB
SCHEMBL19633577 0.79 KDR (0.50) PDGFRAKDRMETMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed