SCHEMBL31133034

SCHEMBL31133034

COC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.47
KDM4C Q9H3R0 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM5C P41229 2/20 0.46
KDM6B O15054 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
KDM4A O75164 1/20 0.41
NAMPT P43490 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
KDM5B Q9UGL1 4/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM5A P29375 2/20 0.40

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
SCHEMBL12682404 1.00 ATR (0.47) ATRKDM4CKDM4EKDM5CKDM6B
SCHEMBL27426145 0.93 ACACB (0.43) ATRKDM4CKDM4EKDM5CKDM6B
SCHEMBL509487 0.89 KDM5B (0.53) KDM4CKDM4EKDM5CALOX15ACACB
SCHEMBL30097021 0.88 ACACB (0.46) ATRKDM4CKDM4EKDM5CKDM6B
SCHEMBL508770 0.88 ACACB (0.46) ATRKDM4CKDM4EKDM5CKDM6B
SCHEMBL3416327 0.87 ACACB (0.45) ATRKDM4CKDM4EKDM5CKDM6B
SCHEMBL10285171 0.87 KDM5A (0.46) ATRKDM4CKDM4EKDM5CL3MBTL1
SCHEMBL3312747 0.87 HDAC1 (0.44) ATRKDM4EACACBACACANAMPT
SCHEMBL23705885 0.84 P4HB (0.42) ATRKDM4CKDM4EKDM5CKDM6B
SCHEMBL30097022 0.84 P4HB (0.42) ATRKDM4CKDM4EKDM5CKDM6B

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-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed