SCHEMBL31035332

SCHEMBL31035332

CC(=O)c1cc(C(F)(F)F)cc2c(=O)c(C)c(N3CCC(C)(C)CC3)oc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
PIK3CA P42336 14/20 0.44
IDO1 P14902 1/20 0.35
P2RY12 Q9H244 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 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
SCHEMBL31035473 0.86 AKT1 (0.48) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL23887230 0.85 AKT1 (0.56) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL31035486 0.80 PIK3CA (0.47) AKT1AKT2AKT3PIK3CAIDO1
SCHEMBL31035887 0.79 AKT1 (0.50) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL31035207 0.79 PIK3CA (0.51) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL31035582 0.78 AKT1 (0.43) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL31035343 0.77 PIM1 (0.40) AKT1AKT2AKT3PIK3CA
SCHEMBL23887236 0.76 AKT1 (0.47) AKT1AKT2AKT3PIK3CA
SCHEMBL31035139 0.74 AKT1 (0.46) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL23887318 0.74 PIK3CA (0.60) AKT1AKT2AKT3PIK3CA

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
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed