SCHEMBL30877421

SCHEMBL30877421

CC(=O)N1CCC(n2cc(-c3cccn3S(=O)(=O)c3ccc(C)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 12/20 0.44
TAB1 Q15750 12/20 0.44
MET P08581 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MAP4K1 Q92918 1/20 0.41
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
KHK P50053 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
SCHEMBL30877321 0.89 RAPGEF4 (0.43)
SCHEMBL30877343 0.88 HTR6 (0.46) BMPR1AACVRL1ACVR1
SCHEMBL30877483 0.86 RAPGEF4 (0.35) MAP3K7TAB1
SCHEMBL30877294 0.85 MAP3K7 (0.45) MAP3K7TAB1METKHK
SCHEMBL30877312 0.84 CYP1A2 (0.46) METJAK3KHK
SCHEMBL30877450 0.82 RAPGEF4 (0.41)
SCHEMBL30877358 0.78 RAPGEF4 (0.37)
SCHEMBL30877392 0.77 RAPGEF4 (0.48)
SCHEMBL30877309 0.74 RAPGEF4 (0.45)
SCHEMBL30877239 0.72 BRD4 (0.41) METTYK2

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