SCHEMBL30457520

SCHEMBL30457520

C[C@@H]1CN(c2ccnc(CN)n2)C[C@H](C)N1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.43
SORD Q00796 16/20 0.43
HRH4 Q9H3N8 2/20 0.39
NMT1 P30419 1/20 0.37

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
SCHEMBL25236876 1.00 EIF2AK4 (0.43) EIF2AK4SORDHRH4NMT1
SCHEMBL6294832 0.85 EIF2AK4 (0.43) EIF2AK4SORDHRH4NMT1
SCHEMBL3536634 0.80 HRH3 (0.55) EIF2AK4SORDHRH4
SCHEMBL3536631 0.80 HRH3 (0.55) EIF2AK4SORDHRH4
SCHEMBL25234344 0.75 PTPN11 (0.38) EIF2AK4
SCHEMBL25240554 0.73 PTPN11 (0.43) EIF2AK4SORD
SCHEMBL30457411 0.73 PTPN11 (0.43) EIF2AK4SORD
SCHEMBL6293205 0.72 SORD (0.39) EIF2AK4SORDNMT1
SCHEMBL6294679 0.72 EIF2AK4 (0.42) EIF2AK4SORDHRH4NMT1
SCHEMBL23744756 0.72 EIF2AK4 (0.39) EIF2AK4SORD

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-2023110843-A1 HETEROBICYCLIC DERIVATIVES AS ITK INHIBITORS ALMIRALL, S.A. (ES) 2023-06-22 WO disclosed