SCHEMBL30877294

SCHEMBL30877294

CC(=O)N1CCC(n2cc(-c3cc(Cl)cn3S(=O)(=O)c3ccc(C)cc3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 13/20 0.45
TAB1 Q15750 13/20 0.45
MET P08581 5/20 0.43
KHK P50053 1/20 0.41
PAK1 Q13153 1/20 0.40

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
SCHEMBL30877239 0.89 BRD4 (0.41) METPAK1
SCHEMBL30877241 0.89 MET (0.39) METKHKPAK1
SCHEMBL30877512 0.86 KRAS (0.35) MAP3K7TAB1METKHK
SCHEMBL30877421 0.85 MAP3K7 (0.44) MAP3K7TAB1METKHK
SCHEMBL30877371 0.85 CHRNB2 (0.44) METKHKPAK1
SCHEMBL30877417 0.82 PIM1 (0.38)
SCHEMBL30877467 0.79 GRM5 (0.34) MET
SCHEMBL29131767 0.78 ALDH1A1 (0.40)
SCHEMBL30877402 0.75 ALDH1A1 (0.38)
SCHEMBL30877387 0.73 ALDH1A1 (0.36)

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-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed