SCHEMBL31536162

SCHEMBL31536162

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ KDR P35968 12/20 0.41
▸ PDGFRB P09619 9/20 0.41
▸ LCK P06239 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ VCP P55072 1/20 0.38
▸ PRKCI P41743 2/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ ATR Q13535 1/20 0.38

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 0.86 KDR (0.42) PIK3C3KDRPDGFRBLCKTEK
SCHEMBL31536119 0.84 PRKCI (0.40) PIK3C3PRKCIIKBKETBK1
SCHEMBL31536115 0.78 ATR (0.59) ATR
SCHEMBL13023077 0.76 ALDH1A1 (0.45) EGFR
SCHEMBL31536199 0.76 IKBKE (0.43) PIK3C3KDRPDGFRBVCPPRKCI
SCHEMBL31536328 0.75 IKBKE (0.42) PIK3C3KDRPDGFRBPRKCIIKBKE
SCHEMBL31536217 0.75 IKBKE (0.42) PIK3C3KDRPDGFRBPRKCIIKBKE
SCHEMBL13022960 0.74 LMNA (0.47) LCKTEKEGFR
SCHEMBL13023070 0.74 LMNA (0.47) KDRPDGFRBLCKTEKEGFR
SCHEMBL31536195 0.72 PRKCI (0.37) VCPPRKCIIKBKETBK1

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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