SCHEMBL31075255

SCHEMBL31075255

O=C(O)c1ncn(Cc2cnc(N3CCC3)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.38
KLKB1 P03952 6/20 0.35
F11 P03951 5/20 0.35
F2 P00734 1/20 0.34
RIPK1 Q13546 4/20 0.34
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
ACACB O00763 1/20 0.33
KLK1 P06870 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
BCL2L1 Q07817 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31075246 0.85 F11 (0.40) KLKB1F11F2RIPK1ACACB
SCHEMBL31075273 0.76 L3MBTL1 (0.46) ALDH1A1POLBKLKB1RIPK1LMNA
SCHEMBL1414358 0.73 KLKB1 (0.49) KLKB1RIPK1KLK1
SCHEMBL31075313 0.73 ALDH1A1 (0.39) ALDH1A1POLBLMNACASP1ACACB
SCHEMBL23070226 0.72 TSHR (0.43) KLKB1RIPK1KLK1SMN1; SMN2
SCHEMBL18366908 0.71 LMNA (0.45) ALDH1A1POLBKLKB1LMNAKLK1
SCHEMBL28472523 0.71 HDAC1 (0.41) POLBKLKB1RIPK1KLK1
SCHEMBL28279024 0.70 KLKB1 (0.46) ALDH1A1POLBKLKB1F11F2
SCHEMBL16246799 0.70 KLKB1 (0.56) KLKB1F11F2LMNACASP1
SCHEMBL26969961 0.70 SCD (0.49) ALDH1A1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed