SCHEMBL31536084

SCHEMBL31536084

CC(C)(O)C#Cc1cc(NC(=O)c2cc(Br)cnc2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ TBK1 Q9UHD2 14/20 0.41
▸ IKBKE Q14164 13/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL31536119 0.86 PRKCI (0.40) PRKCITBK1IKBKEMALT1PIK3C3
SCHEMBL31536128 0.83 KDR (0.42) PRKCITBK1IKBKEPIK3C3
SCHEMBL31536212 0.83 ATR (0.53) PRKCI
SCHEMBL31536318 0.82 SORT1 (0.39) SORT1PIK3C3
SCHEMBL31536176 0.81 GRM4 (0.37) PRKCISORT1TBK1IKBKEMALT1
SCHEMBL31536134 0.80 SORT1 (0.42) PRKCISORT1TBK1IKBKEPIK3C3
SCHEMBL31536195 0.80 PRKCI (0.37) PRKCITBK1IKBKE
SCHEMBL14059098 0.79 SORT1 (0.64) PRKCISORT1TBK1IKBKE
SCHEMBL14059135 0.76 PIK3C3 (0.60) PRKCISORT1TBK1IKBKEPIK3C3
SCHEMBL14059394 0.76 PRKCI (0.66) PRKCITBK1IKBKE

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-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 — — CN disclosed
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