SCHEMBL29182329

SCHEMBL29182329

Cc1c(-c2noc(C3CC3)c2C(=O)OCc2ccccc2)c2c(Cl)ncnc2n1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.49
▸ NR1H4 Q96RI1 12/20 0.37
▸ FABP1 P07148 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FTO Q9C0B1 1/20 0.34

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
SCHEMBL30893390 1.00 RET (0.49) RETNR1H4FABP1MEN1NR2F2
SCHEMBL30341063 0.92 RET (0.41) RETNR1H4FABP1
SCHEMBL29182324 0.92 RET (0.41) RETNR1H4FABP1
SCHEMBL29182310 0.90 RET (0.39) RETNR1H4FABP1
SCHEMBL30893377 0.90 RET (0.39) RETNR1H4FABP1
SCHEMBL30893384 0.87 LCK (0.38) RETNR1H4FABP1FTO
SCHEMBL29182326 0.87 LCK (0.38) RETNR1H4FABP1FTO
SCHEMBL30893380 0.86 RET (0.38) RETNR1H4
SCHEMBL29182337 0.86 RET (0.38) RETNR1H4
SCHEMBL30893394 0.86 RET (0.49) RETNR1H4

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-117813308-A Nitrogen-containing condensed ring compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-04-02 — — CN disclosed
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