SCHEMBL30684145

SCHEMBL30684145

CCc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
MTOR P42345 3/20 0.39
AAK1 Q2M2I8 2/20 0.38
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
NLRP3 Q96P20 5/20 0.35
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
SREBF2 Q12772 2/20 0.34
SREBF1 P36956 1/20 0.34
PIK3CA P42336 1/20 0.34
TDO2 P48775 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL20744369 1.00 MAP4K4 (0.41) MAP4K4MTORAAK1CYP1A2POLB
SCHEMBL28439392 0.85 CSNK1D (0.33) MTORHRH4NLRP3CSNK1DCSNK1E
SCHEMBL20744447 0.83 DYRK1A (0.39) AAK1HRH4NLRP3MAPK13MAPK12
SCHEMBL29573583 0.83 ADORA2B (0.43) MAP4K4AAK1HRH4NLRP3MAPK13
SCHEMBL23012692 0.83 ADORA2B (0.43) MAP4K4AAK1HRH4NLRP3MAPK13
SCHEMBL20744375 0.83 NLRP3 (0.41) AAK1HRH4NLRP3MAPK13MAPK12
SCHEMBL30684077 0.83 NLRP3 (0.41) AAK1HRH4NLRP3MAPK13MAPK12
SCHEMBL20743706 0.82 TDO2 (0.39) MAP4K4MTORAAK1HRH4TDO2
SCHEMBL30684113 0.82 TDO2 (0.39) MAP4K4MTORAAK1HRH4TDO2
SCHEMBL20744379 0.81 ALOX5AP (0.36) HRH4NLRP3MAPK14ALOX5APFEN1

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-111132974-B Sulfonamide carboxamide compounds 英夫拉索姆有限公司 2023-11-21 CN disclosed