SCHEMBL31035223

SCHEMBL31035223

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
CDK2 P24941 3/20 0.41
PIK3CA P42336 9/20 0.39
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CDK1 P06493 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KCNA3 P22001 1/20 0.33
NPC1 O15118 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
SCHEMBL23887133 0.87 AKT1 (0.52) AKT1AKT2AKT3PIK3CAESR1
SCHEMBL31035117 0.83 AKT1 (0.48) AKT1AKT2AKT3CDK2PIK3CA
SCHEMBL31035252 0.81 AKT1 (0.51) AKT1AKT2AKT3CDK2PIK3CA
SCHEMBL31035139 0.81 AKT1 (0.46) AKT1AKT2AKT3CDK2PIK3CA
SCHEMBL23887233 0.77 PRKDC (0.50) PIK3CAP2RY12
SCHEMBL31035280 0.75 NPC1 (0.51) MAPTTP53TSHRNPC1
SCHEMBL31035163 0.74 AKT1 (0.47) AKT1AKT2AKT3PIK3CAP2RY12
SCHEMBL23887082 0.73 PIK3CA (0.56) AKT1AKT2AKT3PIK3CA
SCHEMBL23886992 0.73 AKT1 (0.60) AKT1AKT2AKT3PIK3CA
SCHEMBL31035349 0.73 PIK3CA (0.57) 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