SCHEMBL30210340

SCHEMBL30210340

Nc1ccnc2ccc(N3CCCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.64
IP6K1 Q92551 4/20 0.61
IP6K3 Q96PC2 1/20 0.51
MEN1 O00255 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
S100B P04271 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NR4A2 P43354 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TERT O14746 3/20 0.46
NCF1 P14598 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL30210309 0.98 IP6K1 (0.63) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL30210341 0.85 LGMN (0.53) MAP4K4IP6K1MEN1KMT2AALDH1A1
SCHEMBL23999937 0.81 MAP4K4 (0.56) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL26326746 0.81 MAP4K4 (0.56) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL24003940 0.81 MAP4K4 (0.56) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL23999855 0.79 IP6K1 (0.55) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL24010819 0.79 IP6K1 (0.55) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL25831270 0.79 ALDH1A1 (0.55) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL5137752 0.78 MAP4K4 (1.00) MAP4K4IP6K1IP6K3MEN1GAA
SCHEMBL24010989 0.78 MAP4K4 (0.52) MAP4K4IP6K1IP6K3MEN1GAA

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
CN-115996939-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 CN disclosed
CN-115867562-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 CN disclosed