SCHEMBL31463645

SCHEMBL31463645

C[C@@H]1CN(c2cc[nH]c(=O)c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 14/20 0.45
PIK3C3 Q8NEB9 5/20 0.45
PRKDC P78527 2/20 0.45
ATR Q13535 1/20 0.45
PIK3CA P42336 2/20 0.42
NR3C2 P08235 1/20 0.42
MTOR P42345 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PIK3CB P42338 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL22150604 0.77 PIK3CA (0.49) PIK3C3PRKDCPIK3CAPDE3BPDE3A
SCHEMBL4588676 0.77 MAPT (0.47) HRH3
SCHEMBL4588673 0.77 MAPT (0.47) HRH3
SCHEMBL22796057 0.75 JAK3 (0.47) PRKDCHRH3
SCHEMBL23291829 0.74 FFAR4 (0.41) ATMPIK3C3PRKDCATRPIK3CA
SCHEMBL23111658 0.74 FFAR4 (0.41) ATMPIK3C3PRKDCATRPIK3CA
SCHEMBL30403552 0.74 NOTUM (0.50)
SCHEMBL26633119 0.74 NOTUM (0.50)
SCHEMBL14983939 0.72 PRKDC (0.46) ATMPIK3C3PRKDCATRPIK3CA
SCHEMBL18860543 0.72 ZAP70 (0.42) PIK3CANR3C2MTORPDE3BPDE3A

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
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 EP disclosed