SCHEMBL23848887

SCHEMBL23848887

C[C@@H]1COCCN1c1cc(C(=O)N(C)C)nc(N(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.47
▸ PIK3CA P42336 4/20 0.47
▸ PIK3CB P42338 1/20 0.42
▸ ATR Q13535 6/20 0.41
▸ ATRIP Q8WXE1 6/20 0.41
▸ CHEK1 O14757 5/20 0.41
▸ PDCD1 Q15116 5/20 0.41
▸ CD274 Q9NZQ7 5/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3C3 Q8NEB9 3/20 0.40

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
SCHEMBL25099945 0.77 PIK3CA (0.51) MTORPIK3CAPIK3CBATRATRIP
SCHEMBL30233112 0.77 PIK3CA (0.51) MTORPIK3CAPIK3CBATRATRIP
SCHEMBL20797900 0.75 ATR (0.44) MTORPIK3CAATRATRIPCHEK1
SCHEMBL20797898 0.75 ATR (0.44) MTORPIK3CAATRATRIPCHEK1
SCHEMBL22160812 0.75 ATR (0.44) MTORPIK3CAATRATRIPCHEK1
SCHEMBL29261326 0.75 PIK3CA (0.51) MTORPIK3CAATRATRIPCHEK1
SCHEMBL29261233 0.75 PIK3CA (0.51) MTORPIK3CAATRATRIPCHEK1
SCHEMBL738648 0.75 ATR (0.47) MTORPIK3CAATRATRIPCHEK1
SCHEMBL2492704 0.75 ATR (0.47) MTORPIK3CAATRATRIPCHEK1
SCHEMBL2487867 0.75 ATR (0.47) MTORPIK3CAATRATRIPCHEK1

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
WO-2021189036-A1 TAF1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-09-23 — — WO disclosed
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