SCHEMBL22201307

SCHEMBL22201307

c1cnc2ccc(Nc3nc(-c4ccncc4)nc4ccncc34)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 3/20 0.56
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
TGFBR1 P36897 2/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
PDE5A O76074 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
ABCG2 Q9UNQ0 8/20 0.51
ABCB1 P08183 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ABCC1 P33527 1/20 0.51
MAPK14 Q16539 1/20 0.50

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
SCHEMBL22201664 0.89 HPGD (0.68) HPGDLMNAMAPTTGFBR1ALDH1A1
SCHEMBL22201422 0.85 ABCG2 (0.60) HPGDLMNAMAPTTGFBR1ABCG2
SCHEMBL20299226 0.80 HPGD (0.80) LATS1HPGDLMNAMAPTALDH1A1
SCHEMBL22201431 0.80 PRKD1 (0.54) LATS1HPGDLMNAMAPTTGFBR1
SCHEMBL14344390 0.79 TGFBR1 (0.78) LATS1HPGDLMNAMAPTTGFBR1
SCHEMBL22201395 0.78 FGFR2 (0.55) LATS1HPGDLMNAMAPTTGFBR1
SCHEMBL22201396 0.78 TGFBR1 (0.53) LATS1HPGDLMNAMAPTTGFBR1
SCHEMBL22201561 0.78 HPGD (0.65) LATS1HPGDLMNAMAPTTGFBR1
SCHEMBL14727339 0.78 ABCG2 (0.70) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL22201568 0.77 HPGD (0.71) HPGDLMNAMAPTTGFBR1ALDH1A1

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