SCHEMBL23081597

SCHEMBL23081597

CN1C(=O)CCOc2ccc(C#CC3(O)CCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ MAP3K14 Q99558 9/20 0.47
▸ RIPK1 Q13546 9/20 0.46

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
SCHEMBL23085476 0.98 MAP3K14 (0.47) NPC1RAB9APOLBNR2F2MAP3K14
SCHEMBL23085713 0.92 RIPK1 (0.48) MAP3K14RIPK1
SCHEMBL23085619 0.91 MAP3K14 (0.47) MAP3K14RIPK1
SCHEMBL23085720 0.90 RIPK1 (0.48) MAP3K14RIPK1
SCHEMBL23075411 0.89 RIPK1 (0.49) MAP3K14RIPK1
SCHEMBL23085565 0.89 RIPK1 (0.46) NPC1RAB9APOLBNR2F2MAP3K14
SCHEMBL23085588 0.88 RIPK1 (0.47) MAP3K14RIPK1
SCHEMBL23085609 0.87 RIPK1 (0.49) MAP3K14RIPK1
SCHEMBL23085601 0.85 MAP3K14 (0.43) MAP3K14RIPK1
SCHEMBL23085485 0.83 RIPK1 (0.46) MAP3K14RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 — — EP disclosed
WO-2021046407-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO disclosed
WO-2021046437-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO disclosed
Send feedback