SCHEMBL24879795

SCHEMBL24879795

CC(=O)N[C@@H]1CCn2nc(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.39
RIPK1 Q13546 9/20 0.38
EPHX2 P34913 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22337340 0.69 RIPK1 (0.30) RIPK1
SCHEMBL20903973 0.68 EPHX2 (0.30) EPHX2
SCHEMBL24015503 0.68 KDM4E (0.41) RIPK1KDM4E
SCHEMBL31696458 0.67 GAA (0.39) EPHX2KMT2A
SCHEMBL24015506 0.66 AKT1 (0.36) SMPD3KDM4EADORA2AADORA1
SCHEMBL19043880 0.66 EPHX2 (0.30) EPHX2
SCHEMBL22337341 0.64 CHRNB2 (0.32)
SCHEMBL13653085 0.63 PTGS2 (0.61) ALDH1A1LMNA
SCHEMBL19659265 0.63 RIPK1 (0.53) RIPK1
SCHEMBL18403238 0.62 SMN1; SMN2 (0.37) EPHX2KDM4EMEN1ALDH1A1LMNA

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
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 WO disclosed