SCHEMBL29772701

SCHEMBL29772701

S=C(Nc1ccccc1)n1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 13/20 0.77
▸ MAPK14 Q16539 9/20 0.56
▸ THRB P10828 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TGFBR2 P37173 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ GRM4 Q14833 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29350731 0.87 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL22477572 0.87 TGFBR1 (0.79) TGFBR1MAPK14
SCHEMBL142081 0.87 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL21234477 0.85 TGFBR1 (0.80) TGFBR1MAPK14
SCHEMBL23091679 0.82 TGFBR1 (0.64) TGFBR1MAPK14GRM4ADORA3
SCHEMBL15452481 0.76 TGFBR1 (0.55) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL15452451 0.76 TGFBR1 (0.55) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2045872 0.74 TGFBR1 (0.68) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL3247895 0.74 TGFBR1 (0.68) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5278449 0.74 TGFBR1 (0.67) TGFBR1MAPK14THRBTGFBR2ABL2

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-2022149615-A1 CULTURE MEDIUM FOR EXPANSION CULTURE OF NEPHRON PROGENITOR CELL, METHOD FOR PERFORMING EXPANSION CULTURE OF NEPHRON PROGENITOR CELL, AND METHOD FOR PRODUCING KIDNEY ORGANOID 国立大学法人京都大学 2022-07-14 — — WO disclosed
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