SCHEMBL30969255

SCHEMBL30969255

NC(=O)c1ccc(NCCN2CCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
NMT1 P30419 1/20 0.47
HCAR3 P49019 2/20 0.46
DPP4 P27487 1/20 0.45
EPHX2 P34913 1/20 0.45
PIM1 P11309 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRSK1 Q8TDC3 1/20 0.44
AURKB Q96GD4 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ACHE P22303 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL30019874 0.88 HCAR3 (0.61) NMT1HCAR3ACHE
SCHEMBL28914847 0.83 CYP3A4 (0.49) NMT1HCAR3ACHE
SCHEMBL30969276 0.82 CCNA2 (0.51) PIM1FLT3PIM3BRSK1AURKB
SCHEMBL4418348 0.81 KDM4E (0.56)
SCHEMBL30969300 0.80 SIGMAR1 (0.52) NMT1PIM1FLT3PIM3BRSK1
SCHEMBL6154983 0.79 TNIK (0.49) EPHX2HRH3
SCHEMBL4069152 0.79 HRH3 (0.62) NMT1ACHEHRH4HRH3
SCHEMBL5205802 0.78 NNMT (0.60) NNMTHCAR3DPP4EPHX2
SCHEMBL30969317 0.77 TNIK (0.51) EPHX2
SCHEMBL30492154 0.77 NNMT (0.58) NNMTHCAR3DPP4EPHX2

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-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed