SCHEMBL24812436

SCHEMBL24812436

C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c(C3CCCN3)nn(C)c12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.56
BRAF P15056 1/20 0.56
ATRIP Q8WXE1 6/20 0.54

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
SCHEMBL24810110 0.82 ATR (0.58) ATRBRAFATRIP
SCHEMBL24811195 0.80 ATR (0.57) ATRBRAFATRIP
SCHEMBL24812401 0.79 ATR (0.60) ATRBRAFATRIP
SCHEMBL24810115 0.79 ATR (0.58) ATRBRAFATRIP
SCHEMBL24811616 0.75 ATR (0.71) ATRBRAFATRIP
SCHEMBL24811619 0.75 ATR (0.70) ATRBRAFATRIP
SCHEMBL25791713 0.75 ATR (0.66) ATRBRAFATRIP
SCHEMBL24810121 0.75 ATR (0.61) ATRBRAFATRIP
SCHEMBL24811613 0.74 ATR (0.67) ATRBRAFATRIP
SCHEMBL24809853 0.74 ATR (0.77) ATRBRAFATRIP

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-2022268025-A1 ATR INHIBITOR AND USE THEREOF 成都苑东生物制药股份有限公司 2022-12-29 WO disclosed