SCHEMBL22201351

SCHEMBL22201351

COc1cccc2c(Nc3ccc4[nH]ccc4c3)nc(-c3ccncc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.54
ABCB1 P08183 7/20 0.54
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
TGFBR1 P36897 1/20 0.48
PRKD1 Q15139 1/20 0.47
FGFR2 P21802 1/20 0.47
FLT3 P36888 1/20 0.47
ABCC1 P33527 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM1A O60341 1/20 0.46
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
NAE1 Q13564 1/20 0.43

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
SCHEMBL22201358 0.87 TGFBR1 (0.53) ABCG2ABCB1TGFBR1PRKD1FGFR2
SCHEMBL22201352 0.85 LMNA (0.52) ABCG2ABCB1TGFBR1PRKD1FGFR2
SCHEMBL22201353 0.84 ABCG2 (0.54) ABCG2ABCB1TGFBR1PRKD1FGFR2
SCHEMBL22201341 0.80 PRKD1 (0.66) ABCG2ABCB1TGFBR1PRKD1ABCC1
SCHEMBL22201350 0.79 ABCG2 (0.58) ABCG2ABCB1TGFBR1PRKD1FGFR2
SCHEMBL22201347 0.79 ABCG2 (0.58) ABCG2ABCB1AURKAAURKBTGFBR1
SCHEMBL22201397 0.79 ABCG2 (0.55) ABCG2PRKD1FGFR2FLT3
SCHEMBL22201356 0.76 HPGD (0.55) ABCG2ABCB1TGFBR1PRKD1FGFR2
SCHEMBL22201354 0.76 HPGD (0.55) ABCG2ABCB1TGFBR1PRKD1FGFR2
SCHEMBL22201395 0.76 FGFR2 (0.55) ABCG2ABCB1TGFBR1PRKD1FGFR2

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed