SCHEMBL31536128

SCHEMBL31536128

CC(C)(O)C#Cc1cccc(NC(=O)c2cc(Br)cnc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.42
▸ PDGFRB P09619 8/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LCK P06239 2/20 0.41
▸ TEK Q02763 2/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ ATR Q13535 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
SCHEMBL31536195 0.86 PRKCI (0.37) MEN1KMT2AVCPIKBKETBK1
SCHEMBL31536162 0.86 PIK3C3 (0.41) KDRPDGFRBLCKTEKPIK3C3
SCHEMBL31536115 0.83 ATR (0.59) ATR
SCHEMBL31536084 0.83 PRKCI (0.41) PIK3C3IKBKETBK1PRKCI
SCHEMBL31536131 0.79 LCK (0.42) KDRPDGFRBMEN1KMT2ALCK
SCHEMBL31536121 0.79 KDR (0.41) KDRPDGFRBMEN1KMT2ALCK
SCHEMBL31536359 0.78 MAP3K14 (0.37) KMT2AEGFR
SCHEMBL13023077 0.78 ALDH1A1 (0.45) MEN1KMT2AEGFR
SCHEMBL2637005 0.77 PRKCI (0.60) IKBKETBK1PRKCIATR
SCHEMBL31536134 0.76 SORT1 (0.42) PIK3C3IKBKETBK1PRKCI

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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