SCHEMBL7989104

SCHEMBL7989104

COc1ccccc1Oc1nccc(-c2[c]nc(Oc3cccc(C(F)(F)F)c3)nc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 1/20 0.36
GAK O14976 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 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
SCHEMBL7974844 0.81 MAPK14 (0.41) MAPK14L3MBTL1TDP1MAPK11BRDT
SCHEMBL7985956 0.78 MAPK14 (0.41) KMT2AMAPK14L3MBTL1MAPTPDE10A
SCHEMBL7989153 0.76 ALDH1A1 (0.43) KMT2AL3MBTL1MAPTGAAMAPK1
SCHEMBL19563690 0.73 L3MBTL1 (0.56) PPP1CAKMT2AL3MBTL1MAPTGAA
SCHEMBL7986045 0.72 MEN1 (0.40) KMT2AMAPK14L3MBTL1MAPTPDE10A
SCHEMBL7985834 0.69 MEN1 (0.43) KMT2AMAPK14L3MBTL1MAPTGAA
SCHEMBL5119722 0.68 DYRK1A (0.47) MAPTGAAMAPK1NPSR1PDE4B
SCHEMBL5619429 0.67 L3MBTL1 (0.44) PPP1CAKMT2AL3MBTL1MAPTGAA
SCHEMBL7992858 0.67 MAPK14 (0.40) KMT2AMAPK14MAPTGAAMAPK1
SCHEMBL7539364 0.67 MEN1 (0.49) KMT2AMAPK14L3MBTL1MAPTGAA

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-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed