SCHEMBL25080295

SCHEMBL25080295

C[C@@H]1COCCN1c1nc(Cl)nc2c1ccn2C1CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.45
▸ ATR Q13535 9/20 0.45
▸ ATRIP Q8WXE1 9/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.42
▸ LCK P06239 2/20 0.42
▸ NUAK1 O60285 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL25080251 0.96 MTOR (0.46) MTORATRATRIPHRH3LCK
SCHEMBL25080224 0.85 MTOR (0.48) MTORATRATRIPLCKNUAK1
SCHEMBL25080297 0.82 MTOR (0.45) MTORATRATRIPLCKNUAK1
SCHEMBL25080574 0.81 HRH3 (0.47) MTORATRATRIPHRH3
SCHEMBL25080340 0.81 ATR (0.64) MTORATRATRIPLCKNUAK1
SCHEMBL25080698 0.80 ATR (0.68) MTORATRATRIPLCKNUAK1
SCHEMBL25080690 0.80 ATR (0.68) MTORATRATRIPLCKNUAK1
SCHEMBL25080655 0.80 MTOR (0.42) MTORATRATRIPHRH3LCK
SCHEMBL25080710 0.79 HRH3 (0.45) MTORATRATRIPHRH3LCK
SCHEMBL25080796 0.79 HRH3 (0.45) MTORATRATRIPHRH3LCK

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-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 — — WO disclosed
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