SCHEMBL24006305

SCHEMBL24006305

Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4cc(C)nc5ccc(N6CCOCC6)cc45)c3)cc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK10 P53779 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK14 Q16539 2/20 0.47
DNMT1 P26358 2/20 0.46
DNMT3A Q9Y6K1 2/20 0.46
EHMT1 Q9H9B1 1/20 0.46
DNMT3L Q9UJW3 1/20 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
SCHEMBL23999644 0.94 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6MAPK10
SCHEMBL24006299 0.92 DNMT1 (0.56) MAPTCYP1A2CYP3A4CYP2D6MAPK10
SCHEMBL24005998 0.92 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2D6MAPK10
SCHEMBL24005987 0.91 MAPK10 (0.53) MAPTCYP1A2CYP3A4CYP2D6MAPK10
SCHEMBL25825681 0.87 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL24006002 0.85 DNMT1 (0.42) DNMT1DNMT3AEHMT1DNMT3L
SCHEMBL24005994 0.85 DNMT1 (0.59) MAPTSMN1; SMN2KMT2ATSHRRAB9A
SCHEMBL24005997 0.84 MAPKAPK2 (0.47) MAPTMAPK10SMN1; SMN2RAF1BRAF
SCHEMBL24005989 0.83 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6MAPK10
SCHEMBL24006300 0.83 MAPK10 (0.52) MAPTCYP1A2CYP3A4CYP2D6MAPK10

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
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226477-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed