SCHEMBL25359802

SCHEMBL25359802

Cc1cc(C(C)O)c2nc(N3CCCCC3)n(C)c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.50
▸ AKT2 P31751 3/20 0.50
▸ AKT3 Q9Y243 3/20 0.50
▸ CRHR1 P34998 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 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
SCHEMBL30494961 1.00 AKT1 (0.50) AKT1AKT2AKT3CRHR1ALDH1A1
SCHEMBL30784055 0.89 AKT1 (0.48) AKT1AKT2AKT3CRHR1ALDH1A1
SCHEMBL30783993 0.88 AKT1 (0.49) AKT1AKT2AKT3CRHR1KMT2A
SCHEMBL25361160 0.88 AKT1 (0.48) AKT1AKT2AKT3CRHR1ALDH1A1
SCHEMBL30495111 0.88 AKT1 (0.48) AKT1AKT2AKT3CRHR1ALDH1A1
SCHEMBL26931728 0.87 AKT1 (0.48) AKT1AKT2AKT3CRHR1
SCHEMBL25362973 0.87 AKT1 (0.64) AKT1AKT2AKT3CRHR1PIK3CA
SCHEMBL26129979 0.86 AKT1 (0.51) AKT1AKT2AKT3CRHR1ALDH1A1
SCHEMBL30682850 0.86 AKT1 (0.54) AKT1AKT2AKT3CRHR1KMT2A
SCHEMBL30682842 0.85 AKT1 (0.47) AKT1AKT2AKT3CRHR1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
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