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SCHEMBL30855650

SCHEMBL30855650

Cc1cccc(-c2[nH]c(NCc3cccc(F)c3)nc2-c2ccc3c(cnn3S(C)(=O)=O)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 1.00
▸ TGFBR1 P36897 19/20 0.78
▸ CYP2D6 P10635 3/20 0.65
▸ CYP2C9 P11712 3/20 0.65
▸ CYP2C19 P33261 3/20 0.65
▸ MAPK14 Q16539 3/20 0.56

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
SCHEMBL29281260 1.00 CYP1A2 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL30855655 0.88 TGFBR1 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL29281234 0.88 TGFBR1 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL30855658 0.86 TGFBR1 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL30183107 0.86 TGFBR1 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL30183069 0.85 TGFBR1 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL30182921 0.83 TGFBR1 (0.76) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL29281220 0.81 TGFBR1 (0.71) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19
SCHEMBL29281226 0.80 TGFBR1 (1.00) CYP1A2TGFBR1MAPK14
SCHEMBL30855668 0.79 TGFBR1 (1.00) CYP1A2TGFBR1CYP2D6CYP2C9CYP2C19

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
CN-117881669-A Condensed ring heteroaryl compounds and uses thereof 比西切姆有限公司 2024-04-12 — — CN disclosed
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