SCHEMBL30684113

SCHEMBL30684113

Cc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 4/20 0.38
TLR9 Q9NR96 3/20 0.38
MAP4K4 O95819 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
AAK1 Q2M2I8 4/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MTOR P42345 1/20 0.36
GRM2 Q14416 1/20 0.36
DYRK1A Q13627 2/20 0.36
PIK3CB P42338 1/20 0.35
NFATC1 O95644 1/20 0.35

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
SCHEMBL20743706 1.00 TDO2 (0.39) TDO2TLR8TLR7TLR9MAP4K4
SCHEMBL23012692 0.87 ADORA2B (0.43) MAP4K4HRH4AAK1DYRK1ANFATC1
SCHEMBL20744447 0.87 DYRK1A (0.39) TLR8TLR7TLR9HRH4AAK1
SCHEMBL29573583 0.87 ADORA2B (0.43) MAP4K4HRH4AAK1DYRK1ANFATC1
SCHEMBL22374010 0.85 CCNC (0.39) TDO2CCNCCDK8AAK1PSEN1
SCHEMBL20744379 0.84 ALOX5AP (0.36) HRH4
SCHEMBL20754870 0.82 HRH4 (0.40) TLR8TLR7TLR9HRH4DYRK1A
SCHEMBL20744369 0.82 MAP4K4 (0.41) TDO2MAP4K4HRH4AAK1PSEN1
SCHEMBL20754538 0.82 MAP4K4 (0.41) TLR8TLR7TLR9MAP4K4HRH4
SCHEMBL20609796 0.82 NLRP3 (0.48) AAK1MTORDYRK1A

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