SCHEMBL22201261

SCHEMBL22201261

c1ccc2c(Nc3ccc4[nH]ncc4c3)cc(-c3ccncc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.54
ABCG2 Q9UNQ0 5/20 0.50
TGFBR1 P36897 2/20 0.50
ABCB1 P08183 4/20 0.49
ABCC1 P33527 2/20 0.47
CLK1 P49759 1/20 0.47
PIK3CA P42336 1/20 0.46
EGFR P00533 1/20 0.46
FLT1 P17948 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ROCK2 O75116 1/20 0.46

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
SCHEMBL22201269 0.83 ACP1 (0.55) ACP1ABCG2TGFBR1ABCB1ABCC1
SCHEMBL22201268 0.81 TGFBR1 (0.51) TGFBR1CLK1PIK3CAEGFRFLT1
SCHEMBL12090776 0.78 ACP1 (0.76) ACP1ABCG2TGFBR1ABCB1ABCC1
SCHEMBL17154420 0.76 TGFBR1 (0.57) TGFBR1EGFRFLT1POLBRAD52
SCHEMBL22201279 0.75 ABCG2 (0.85) ACP1ABCG2TGFBR1ABCB1ABCC1
SCHEMBL8788878 0.73 CLK1 (0.58) CLK1ROCK2
SCHEMBL6001853 0.72 ACP1 (0.64) ACP1ABCG2ABCB1
SCHEMBL5801453 0.72 ACP1 (0.64) ACP1ABCG2ABCB1POLB
SCHEMBL13154697 0.72 TGFBR1 (0.71) ABCG2TGFBR1ROCK2
SCHEMBL29395013 0.72 TGFBR1 (0.71) ABCG2TGFBR1ROCK2

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