SCHEMBL22201407

SCHEMBL22201407

c1cnc2ccc(Nc3nc(-c4cncs4)nc4ccccc34)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.60
PRKD1 Q15139 1/20 0.48
KDM1A O60341 4/20 0.47
PDE5A O76074 3/20 0.47
ABCG2 Q9UNQ0 5/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ABCB1 P08183 2/20 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
SCHEMBL22201412 0.84 TGFBR1 (0.65) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201247 0.84 GRM4 (0.50) TGFBR1PDE5AABCG2MAPTCYP1A2
SCHEMBL22201664 0.81 HPGD (0.68) TGFBR1PDE5AABCG2MAPTHPGD
SCHEMBL22201301 0.81 PDE5A (0.47) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201264 0.80 ABCG2 (0.71) PDE5AABCG2MAPTHPGDMAPK1
SCHEMBL22201372 0.80 PDE5A (0.46) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201274 0.80 TGFBR1 (0.63) TGFBR1PDE5AABCG2CLK4
SCHEMBL22201263 0.80 TGFBR1 (0.61) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201291 0.79 TGFBR1 (0.48) TGFBR1PRKD1KDM1APDE5AABCG2
SCHEMBL22201253 0.79 PDE5A (0.47) TGFBR1KDM1APDE5AABCG2MAPT

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