SCHEMBL31249005

SCHEMBL31249005

Cc1nc(N2CCNCC2)c2cnn(C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.51
HRH1 P35367 1/20 0.51
NSD2 O96028 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPY5R Q15761 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL12264971 0.84 MEN1 (0.63) HRH4HRH1NSD2PKMMEN1
SCHEMBL23579730 0.81 HRH1 (0.48) HRH4HRH1NSD2PKMMEN1
SCHEMBL30033960 0.81 HRH1 (0.48) HRH4HRH1NSD2PKMMEN1
SCHEMBL7655764 0.77 NSD2 (0.75) NSD2PKMMEN1KMT2ASMN1; SMN2
SCHEMBL31249014 0.76 KMT2A (0.53) HRH4HRH1NSD2PKMMEN1
SCHEMBL31248990 0.76 KMT2A (0.48) HRH4HRH1NSD2PKMMEN1
SCHEMBL23579990 0.75 KMT2A (0.45) HRH4HRH1NSD2PKMMEN1
SCHEMBL28855535 0.74 KMT2A (0.47) HRH4HRH1NSD2PKMMEN1
SCHEMBL14071906 0.72 PIK3CA (0.62)
SCHEMBL10307718 0.71 PDE2A (0.43) HRH4HRH1MEN1KMT2AALDH1A1

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-4719388-A2 COVALENT INHIBITORS AS ANTI-MALARIAL AGENTS Purdue Research Foundation (US) 2026-04-08 EP disclosed
WO-2024249604-A2 COVALENT INHIBITORS AS ANTI-MALARIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2024-12-05 WO disclosed