Dactolisib

Dactolisib

SCHEMBL30186162

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MTORPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5

The experimentally established mechanism targets of Dactolisib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR known ✓ P42345 17/20 1.00
PIK3CA known ✓ P42336 15/20 1.00
PIK3CD known ✓ O00329 9/20 1.00
PIK3CG known ✓ P48736 7/20 1.00
PIK3CB known ✓ P42338 6/20 1.00
PIK3R1 known ✓ P27986 1/20 1.00
PIK3R5 known ✓ Q8WYR1 1/20 1.00
PRKDC P78527 3/20 1.00
ATM Q13315 3/20 1.00
PIK3C2A O00443 2/20 1.00
PIK3C2B O00750 2/20 1.00
ATR Q13535 2/20 1.00
CHEK1 O14757 1/20 1.00
ABCB11 O95342 1/20 1.00
CSF1R P07333 1/20 1.00
MET P08581 1/20 1.00
LTK P29376 1/20 1.00
CDK7 P50613 1/20 1.00
NEK2 P51955 1/20 1.00
JAK3 P52333 1/20 1.00

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
Dactolisib SCHEMBL143623 1.00 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL2424463 1.00 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL29370906 1.00 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747813 0.94 MTOR (0.89) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL928021 0.93 MTOR (0.87) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL995465 0.91 MTOR (0.83) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL30587353 0.91 MTOR (0.83) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL927324 0.90 MTOR (0.82) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16211785 0.90 MTOR (0.82) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3683685 0.90 MTOR (0.81) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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
US-20250000870-A1 Pharmaceutical Combinations for Treating Cancer CELLESTIA BIOTECH AG (CH) 2025-01-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250000870-A1 Pharmaceutical Combinations for Treating Cancer HES1, NOTCH1, NOTCH2 MTOR 109/4885PIK3CA 192/4885PIK3CD 270/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.