SCHEMBL24934256

SCHEMBL24934256

CC(C)(C)OC(=O)COc1ccc(-n2nc(Nc3ccc(NPI)c(C=N)c3)c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36
▸ TP53 P04637 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MAPK14 Q16539 5/20 0.33
▸ RORC P51449 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ SYK P43405 3/20 0.32
▸ SRC P12931 2/20 0.32
▸ CDK8 P49336 2/20 0.32
▸ MAPK9 P45984 1/20 0.32

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
SCHEMBL24934233 0.76 SCN9A (0.41) MAPTMAPK14RORCKMT2ASCN9A
SCHEMBL24934261 0.75 DDR2 (0.32) MAPK14RORCSRCMAPK9
SCHEMBL24934282 0.73 ABL1 (0.37) MAPTGAAMAPK14KMT2ASMN1; SMN2
SCHEMBL29218249 0.72 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30163106 0.72 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24933979 0.71 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30999891 0.71 RXRA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29218161 0.71 RXRA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30163033 0.71 RXRA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24934295 0.66 ABCG2 (0.38) TP53MAPTGAARORCKMT2A

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
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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