SCHEMBL31205686

SCHEMBL31205686

O=C1CCCCN1c1ccnc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.38
DGAT2 Q96PD7 2/20 0.36
MTOR P42345 3/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL31205685 1.00 RIPK1 (0.38) RIPK1DGAT2MTORPIK3CAPIK3CB
SCHEMBL31205434 0.97 RIPK1 (0.39) RIPK1DGAT2MTORKDM4EALDH1A1
SCHEMBL31205525 0.92 RIPK1 (0.40) RIPK1DGAT2MTORKDM4E
SCHEMBL31205424 0.87 RIPK1 (0.39) RIPK1DGAT2MTORKDM4EALDH1A1
SCHEMBL31205785 0.87 RIPK1 (0.36) RIPK1DGAT2KDM4EALDH1A1HPGD
SCHEMBL31205537 0.86 KDM4E (0.40) RIPK1KDM4EALDH1A1LMNAHPGD
SCHEMBL31205522 0.84 RIPK1 (0.38) RIPK1DGAT2KDM4EALDH1A1
SCHEMBL31205631 0.84 OPRL1 (0.31)
SCHEMBL31205628 0.83 RIPK1 (0.39) RIPK1MTORKDM4E
SCHEMBL31205710 0.83 RIPK1 (0.37) RIPK1DGAT2MTORKDM4EALDH1A1

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-4709723-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233544-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed