SCHEMBL31035252

SCHEMBL31035252

Cc1cc(C(C)O)c2oc(N3CCCCC3)c(C)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.51
AKT2 P31751 1/20 0.51
AKT3 Q9Y243 1/20 0.51
PIK3CA P42336 14/20 0.48
CDK2 P24941 2/20 0.41
P2RY12 Q9H244 1/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL31035380 0.90 AKT1 (0.49) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL31035798 0.89 PIK3CA (0.59) AKT1AKT2AKT3PIK3CA
SCHEMBL23887210 0.89 AKT1 (0.63) AKT1AKT2AKT3PIK3CA
SCHEMBL30307532 0.89 AKT1 (0.63) AKT1AKT2AKT3PIK3CA
SCHEMBL31035177 0.88 AKT1 (0.55) AKT1AKT2AKT3PIK3CA
SCHEMBL31035117 0.88 AKT1 (0.48) AKT1AKT2AKT3PIK3CACDK2
SCHEMBL31035298 0.82 AKT1 (0.45) AKT1AKT2AKT3PIK3CAMAPT
SCHEMBL31035223 0.81 AKT1 (0.42) AKT1AKT2AKT3PIK3CACDK2
SCHEMBL31035139 0.80 AKT1 (0.46) AKT1AKT2AKT3PIK3CACDK2
SCHEMBL31035066 0.80 AKT1 (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