SCHEMBL31033122

SCHEMBL31033122

NC(=O)c1nnccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 2/20 0.47
▸ MAP2K3 P46734 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ IKBKB O14920 4/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ CHUK O15111 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ PKMYT1 Q99640 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ SMARCA2 P51531 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
SCHEMBL28567393 0.85 KDM4E (0.44) BCAT2KDM4EALDH1A1CASP1CYP3A4
SCHEMBL27202058 0.79 IKBKB (0.49) IKBKBCHEK2KDM4EALDH1A1CASP1
SCHEMBL30665069 0.78 CA1 (0.42) IKBKBCHEK2HSD17B10KDM4EALDH1A1
SCHEMBL231896 0.76 MKNK1 (0.56) BCAT2MAP2K3ADORA2AIKBKBMKNK1
SCHEMBL22588702 0.75 SMARCA2 (0.53) ADORA2AHSD17B10ALDH1A1SMARCA2SMARCA4
SCHEMBL23067311 0.74 MAP2K3 (0.50) BCAT2MAP2K3ADORA2AIKBKBMKNK1
SCHEMBL2848953 0.74 ADORA2A (0.46) BCAT2MAP2K3ADORA2AIKBKBMKNK1
Hydrochloric Acid SCHEMBL27209691 0.73 SMARCA2 (0.52) ADORA2AHSD17B10ALDH1A1SMARCA2SMARCA4
SCHEMBL30423145 0.72 ADORA2A (0.45) BCAT2MAP2K3ADORA2AIKBKBMKNK1
SCHEMBL28929678 0.72 LMNA (0.50) ALDH1A1

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
EP-4389738-A1 SOS1 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-06-26 — — EP disclosed
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