SCHEMBL30845779

SCHEMBL30845779

Cc1ccc(-c2ccc3nc(C(N)=O)cn3c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.58
EGLN1 Q9GZT9 8/20 0.46
ABL1 P00519 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SYK P43405 1/20 0.40
PIK3CA P42336 2/20 0.40
GABRA1 P14867 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ALDH1A3 P47895 1/20 0.39

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
SCHEMBL21033300 0.88 EGLN1 (0.50) TGFBR1EGLN1ABL1LRRK2PIK3CA
SCHEMBL30845768 0.88 TGFBR1 (0.54) TGFBR1EGLN1PIK3CAPIK3CDPIK3CB
SCHEMBL21033468 0.83 KDM4E (0.56) TGFBR1EGLN1PIK3CA
SCHEMBL30845775 0.80 TGFBR1 (0.55) TGFBR1EGLN1ALDH1A3
SCHEMBL21688725 0.79 TGFBR1 (0.49) TGFBR1
SCHEMBL30845786 0.79 EGLN1 (0.63) TGFBR1EGLN1ALDH1A3
SCHEMBL30845778 0.79 EGLN1 (0.64) TGFBR1EGLN1ALDH1A3
SCHEMBL29908155 0.78 USP30 (0.54) TGFBR1EGLN1PIK3CG
SCHEMBL30845764 0.78 TGFBR1 (0.50) TGFBR1EGLN1
SCHEMBL8065354 0.78 TGFBR1 (0.50) TGFBR1EGLN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN claimed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed