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SCHEMBL30338997

SCHEMBL30338997

COC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3cncc(F)c3)CC2)n1.O=C(O)c1ccnc(N2CCC(C(=O)N3OCCC3c3cncc(F)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 7/20 0.45
▸ RBP4 P02753 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ JAK2 O60674 3/20 0.35
▸ NTRK1 P04629 3/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL25816906 0.97 RIPK1 (0.47) RIPK1KDM4EPOLBJAK2NTRK1
SCHEMBL25816915 0.94 RIPK1 (0.49) RIPK1RBP4TTRKDM4EPOLB
SCHEMBL30338819 0.89 RIPK1 (0.48) RIPK1RBP4TTRKDM4ECRBN
SCHEMBL25816943 0.87 RIPK1 (0.51) RIPK1KDM4EPOLBJAK2NTRK1
SCHEMBL25816941 0.87 RIPK1 (0.51) RIPK1KDM4EPOLBJAK2NTRK1
SCHEMBL25816902 0.87 RIPK1 (0.51) RIPK1KDM4EPOLBJAK2NTRK1
SCHEMBL25253171 0.85 RIPK1 (0.51) RIPK1KDM4ECRBNALDH1A1
SCHEMBL30338691 0.85 RIPK1 (0.51) RIPK1KDM4ECRBNALDH1A1
SCHEMBL30338914 0.81 RIPK1 (0.48) RIPK1RBP4TTRKDM4EALDH1A1
SCHEMBL25255724 0.81 RIPK1 (0.48) RIPK1RBP4TTRKDM4EALDH1A1

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-4157835-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-04-05 — — EP disclosed