SCHEMBL29558706

SCHEMBL29558706

CCOC(=O)c1cc2ccc3cnc(NC)nc3c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GAA P10253 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29558733 0.85 GABRP (0.41) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL29558568 0.83 CDK1 (0.41) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL29558728 0.71 CDK2 (0.44) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL29558734 0.71 CDK2 (0.44) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL29558396 0.70 KDM4E (0.52) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL29558731 0.70 KDM4E (0.52) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL17053331 0.70 MAPT (0.49) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL16011497 0.70 MAPT (0.49) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL1849673 0.70 KDM4E (0.57) MAPTKDM4ERAB9ANPC1TDP1
SCHEMBL30020347 0.70 KDM4E (0.83) MAPTKDM4ERAB9ANPC1TDP1

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
CN-114380841-A Tricyclic or dihydroquinazoline compounds as AKT inhibitors 南京正大天晴制药有限公司 2022-04-22 CN disclosed