SCHEMBL13999983

SCHEMBL13999983

COc1cccc(Nc2nc(C)nc(Nc3ccccc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.63
MAPT P10636 3/20 0.61
TP53 P04637 2/20 0.61
EGFR P00533 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
HTT P42858 2/20 0.56
SYK P43405 1/20 0.56
TSHR P16473 1/20 0.56
PIK3CA P42336 2/20 0.54
PIK3CG P48736 2/20 0.54
PIK3CB P42338 1/20 0.54
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
KDR P35968 2/20 0.54
CDK1 P06493 1/20 0.54

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
SCHEMBL4544861 0.94 KCNH3 (0.70) KCNH3MAPTTP53EGFRMEN1
SCHEMBL4544834 0.94 KCNH3 (0.70) KCNH3MAPTTP53EGFRMEN1
SCHEMBL4544832 0.86 KCNH3 (0.65) KCNH3MAPTTP53EGFRMEN1
SCHEMBL4544869 0.86 KCNH3 (0.58) KCNH3MAPTTP53EGFRMEN1
SCHEMBL4544829 0.86 KCNH3 (0.68) KCNH3MAPTEGFRMEN1KMT2A
SCHEMBL4544763 0.84 KCNH3 (0.67) KCNH3MAPTTP53EGFRMEN1
SCHEMBL4544822 0.84 KCNH3 (0.67) KCNH3MAPTTP53EGFRMEN1
SCHEMBL28736393 0.83 KCNH3 (0.68) KCNH3MAPTTP53EGFRMEN1
SCHEMBL4544824 0.82 KCNH3 (0.60) KCNH3MAPTTP53EGFRMEN1
SCHEMBL917608 0.82 MTNR1B (0.65) MAPTMEN1KMT2APOLBHTT

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-2009001952-A1 LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2008-12-31 WO disclosed