SCHEMBL30210264

SCHEMBL30210264

Cc1cc(Nc2ccc(N)c(N)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP3A4 P08684 2/20 0.42
THRB P10828 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
UHRF1 Q96T88 2/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
TERT O14746 3/20 0.40
DOT1L Q8TEK3 2/20 0.40
SCN9A Q15858 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 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
SCHEMBL23999556 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL23999529 0.84 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL30180617 0.84 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL17621230 0.81 SCN9A (0.51) HDAC3HDAC1HDAC2HDAC6UHRF1
SCHEMBL23999851 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6UHRF1
SCHEMBL25826336 0.79 TSHR (0.50) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL24004058 0.77 KDM4E (0.56) HDAC3HDAC1HDAC2HDAC6TDP1
SCHEMBL23999510 0.77 RAD52 (0.63) CYP3A4THRBALOX15TDP1ALDH1A1
SCHEMBL23999879 0.77 DOT1L (0.45) HDAC3HDAC1HDAC2HDAC6UHRF1
SCHEMBL16538491 0.76 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6UHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118524833-A AKT3 modulators 乔治穆内公司 2024-08-20 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
EP-4146666-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 EP disclosed