SCHEMBL31536134

SCHEMBL31536134

CC(C)(O)C#Cc1nccc(NC(=O)c2cc(Br)cnc2N)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 9/20 0.42
▸ PIK3C3 Q8NEB9 3/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ IKBKE Q14164 3/20 0.34
▸ TBK1 Q9UHD2 3/20 0.34
▸ PRKCI P41743 1/20 0.34

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
SCHEMBL31536084 0.80 PRKCI (0.41) SORT1PIK3C3IKBKETBK1PRKCI
SCHEMBL31536318 0.79 SORT1 (0.39) SORT1PIK3C3NPC1RAB9ATP53
SCHEMBL31536207 0.77 PIK3C3 (0.43) PIK3C3IKBKETBK1
SCHEMBL31536128 0.76 KDR (0.42) PIK3C3IKBKETBK1PRKCI
SCHEMBL31536195 0.75 PRKCI (0.37) IKBKETBK1PRKCI
SCHEMBL14059513 0.72 IKBKE (0.50) SORT1PIK3C3GRM5IKBKETBK1
SCHEMBL31536097 0.71 SORT1 (0.34) SORT1GRM5
SCHEMBL14059098 0.69 SORT1 (0.64) SORT1GRM5IKBKETBK1PRKCI
SCHEMBL14059135 0.68 PIK3C3 (0.60) SORT1PIK3C3IKBKETBK1PRKCI
SCHEMBL14059394 0.68 PRKCI (0.66) IKBKETBK1PRKCI

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
Send feedback