SCHEMBL31536121

SCHEMBL31536121

Nc1ncc(Br)cc1C(=O)Nc1cccc(C#CC2(O)CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.41
▸ PDGFRB P09619 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAP3K14 Q99558 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ APP P05067 1/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.37
▸ LCK P06239 2/20 0.37
▸ TEK Q02763 2/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL31536128 0.79 KDR (0.42) KDRPDGFRBMEN1KMT2ALCK
SCHEMBL2637005 0.74 PRKCI (0.60) KDM4EMAP4K3ATRPRKCIIKBKE
SCHEMBL6034744 0.70 SORT1 (0.63) KDM4EMEN1KMT2APRKCI
SCHEMBL14059394 0.69 PRKCI (0.66) PRKCIIKBKETBK1
SCHEMBL14059098 0.67 SORT1 (0.64) ATRPRKCIIKBKETBK1
SCHEMBL14059938 0.67 LRRK2 (0.54) PRKCIIKBKETBK1
SCHEMBL31536113 0.67 MAP3K14 (0.46) MAP3K14
SCHEMBL613343 0.65 NPC1 (0.45) KDM4EXBP1MEN1KMT2AMAP3K14
SCHEMBL31536195 0.65 PRKCI (0.37) MEN1KMT2APRKCIIKBKETBK1
SCHEMBL31536162 0.65 PIK3C3 (0.41) KDRPDGFRBLCKTEKPIK3C3

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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