SCHEMBL25700433

SCHEMBL25700433

COC(=O)c1cc(N2CCOC[C@H]2C)nc2c(C)n[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.48
ATRIP Q8WXE1 9/20 0.48
MTOR P42345 4/20 0.42

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
SCHEMBL23629220 0.89 ATR (0.47) ATRATRIPMTOR
SCHEMBL23629225 0.80 ATR (0.45) ATRATRIPMTOR
SCHEMBL23629242 0.75 ATR (0.54) ATRATRIPMTOR
SCHEMBL28580527 0.75 ATR (0.54) ATRATRIPMTOR
SCHEMBL23408533 0.75 ATR (0.47) ATRATRIPMTOR
SCHEMBL24024179 0.74 ATR (0.45) ATRATRIPMTOR
SCHEMBL19146761 0.73 ATR (0.62) ATRATRIP
SCHEMBL19127005 0.73 ATR (0.62) ATRATRIP
SCHEMBL29261234 0.72 ATR (0.52) ATRATRIPMTOR
SCHEMBL29738249 0.72 MTOR (0.48) ATRATRIPMTOR

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