SCHEMBL25358173

SCHEMBL25358173

CC(N)c1cc(C(F)(F)F)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ AKT3 Q9Y243 1/20 0.40
▸ PTPN11 Q06124 15/20 0.38
▸ PIK3CA P42336 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ ADRB2 P07550 1/20 0.33

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
SCHEMBL25358167 1.00 AKT1 (0.40) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL30494860 1.00 AKT1 (0.40) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL30784462 0.88 SOS1 (0.42) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL30495297 0.86 AKT1 (0.52) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL25360674 0.86 AKT1 (0.52) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL30783976 0.86 AKT1 (0.52) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL25360677 0.86 AKT1 (0.52) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL26041490 0.86 AKT1 (0.42) AKT1AKT2AKT3PTPN11PIK3CA
SCHEMBL25360117 0.85 AKT1 (0.41) AKT1AKT2AKT3PTPN11
SCHEMBL25360112 0.85 AKT1 (0.41) AKT1AKT2AKT3PTPN11

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