SCHEMBL30210341

SCHEMBL30210341

Nc1ccnc2ccc(N3CCOCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPKAPK2 P49137 1/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
IP6K1 Q92551 1/20 0.48
NR4A2 P43354 1/20 0.47
MAP4K4 O95819 1/20 0.47
SLC2A1 P11166 1/20 0.46
MAPK10 P53779 1/20 0.46
PRKDC P78527 4/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46

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
SCHEMBL33377163 0.88 PRKDC (0.56) LGMNMAPTNPC1TP53ALOX15
SCHEMBL30210309 0.86 IP6K1 (0.63) MAPTALOX15CCNCCDK8IP6K1
SCHEMBL30210340 0.85 MAP4K4 (0.64) MAPTNPC1TP53ALOX15RAB9A
SCHEMBL23999520 0.82 MAPKAPK2 (0.54) MAPTNPC1TP53ALOX15RAB9A
SCHEMBL24010995 0.82 CCNC (0.54) LGMNMAPTNPC1TP53ALOX15
SCHEMBL24005893 0.80 CCNC (0.55) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL30811429 0.80 LRRK2 (0.51) MAPTNPC1RAB9ASMN1; SMN2MAPKAPK2
SCHEMBL23999924 0.79 MAPKAPK2 (0.57) MAPTNPC1RAB9ASMN1; SMN2MAPKAPK2
SCHEMBL24532295 0.78 MEN1 (0.55) MAPTNPC1RAB9ASMN1; SMN2MAPKAPK2
SCHEMBL29681119 0.78 MEN1 (0.55) MAPTNPC1RAB9ASMN1; SMN2MAPKAPK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024404-A Benzopyridine derivatives and uses thereof 四川汇宇制药股份有限公司 2023-11-10 CN disclosed
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