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SCHEMBL30855655

SCHEMBL30855655

Cc1cccc(-c2[nH]c(NCc3cccc(F)c3)nc2-c2ccc3c(cnn3C)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 19/20 1.00
▸ CYP1A2 P05177 2/20 0.81
▸ MAPK14 Q16539 6/20 0.72
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70

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
SCHEMBL29281234 1.00 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL30183069 0.94 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL29281226 0.92 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14
SCHEMBL29281246 0.91 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL30855661 0.91 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL30855693 0.90 TGFBR1 (0.89) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL30855658 0.90 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL30183107 0.90 TGFBR1 (1.00) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL29281208 0.90 TGFBR1 (0.89) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9
SCHEMBL30183082 0.88 TGFBR1 (0.79) TGFBR1CYP1A2MAPK14CYP2D6CYP2C9

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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