SCHEMBL30851603

SCHEMBL30851603

Cc1ncc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
HPGDS O60760 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
GPR119 Q8TDV5 6/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IGF1R P08069 1/20 0.41
PTPN2 P17706 1/20 0.41

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
SCHEMBL27313057 0.87 KDM4E (0.46) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30852105 0.87 KDM4E (0.46) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30851897 0.86 MAPT (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30851610 0.86 KDM4E (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL27313079 0.86 MAPT (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL27313047 0.86 KDM4E (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30852127 0.86 KDM4E (0.48) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30851884 0.84 KDM4E (0.49) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30852111 0.84 KDM4E (0.48) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30851691 0.84 KDM4E (0.48) KDM4EMAPTTHRBDDB1CRBN

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-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed