SCHEMBL25700448

SCHEMBL25700448

COC(=O)c1cc(N2CCOC[C@H]2C)nc2c1N(COCCS(C)(C)C)NC2C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.39
MTOR P42345 8/20 0.38
PIK3CA P42336 9/20 0.37
PIK3CD O00329 5/20 0.36
ATRIP Q8WXE1 5/20 0.35
CHEK1 O14757 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35

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
SCHEMBL24024152 0.78 ATR (0.40) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24024138 0.76 ATR (0.41) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL19195025 0.72 ATR (0.63) ATRATRIP
SCHEMBL25700433 0.68 ATR (0.48) ATRMTORATRIP
SCHEMBL24024154 0.67 ATR (0.45) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL23629220 0.67 ATR (0.47) ATRMTORATRIP
SCHEMBL23629225 0.67 ATR (0.45) ATRMTORATRIPCHEK1PDCD1
SCHEMBL24024155 0.66 ATR (0.40) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24174467 0.65 MTOR (0.48) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24174454 0.65 MTOR (0.48) ATRMTORPIK3CAPIK3CDATRIP

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-3846904-B1 5-MORPHOLIN-4-YL-PYRAZOLO[4,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-31 EP disclosed