SCHEMBL22201263

SCHEMBL22201263

c1ccc2c(Nc3ccc4[nH]ccc4c3)nc(-c3cncs3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.61
PRKD1 Q15139 1/20 0.59
KDM1A O60341 2/20 0.57
EGFR P00533 4/20 0.47
FLT1 P17948 4/20 0.47
KDR P35968 2/20 0.47
PDE5A O76074 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.46
ABCB1 P08183 3/20 0.45
ABCC1 P33527 3/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 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
SCHEMBL22201274 0.85 TGFBR1 (0.63) TGFBR1EGFRFLT1PDE5ACSNK2A1
SCHEMBL22201252 0.85 PRKD1 (0.47) TGFBR1PRKD1KDM1AEGFRFLT1
SCHEMBL22201375 0.83 ABCG2 (0.46) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL1062778 0.82 TGFBR1 (0.71) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201300 0.81 TGFBR1 (0.52) TGFBR1KDM1APDE5AABCG2ABCB1
SCHEMBL22201247 0.81 GRM4 (0.50) TGFBR1PDE5AABCG2ABCB1ABCC1
SCHEMBL22201341 0.81 PRKD1 (0.66) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201407 0.80 TGFBR1 (0.60) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201301 0.80 PDE5A (0.47) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201253 0.80 PDE5A (0.47) TGFBR1KDM1APDE5AABCG2ABCB1

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