SCHEMBL23634752

SCHEMBL23634752

Cn1c(=O)n(N2CCOCC2)c2c3cc(-c4ccc(F)nc4)c(F)cc3ncc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 20/20 0.55
▸ KCNH2 Q12809 9/20 0.55
▸ MTOR P42345 5/20 0.52
▸ PIK3CA P42336 5/20 0.52
▸ ATR Q13535 1/20 0.49

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
SCHEMBL23634732 0.86 ATM (0.53) ATMKCNH2MTORPIK3CAATR
SCHEMBL23634728 0.83 ATM (0.76) ATMKCNH2MTORPIK3CAATR
SCHEMBL17245579 0.83 ATM (0.77) ATMKCNH2MTORPIK3CAATR
SCHEMBL23634717 0.83 ATM (0.78) ATMKCNH2MTORPIK3CAATR
SCHEMBL29705199 0.79 ATM (0.73) ATMKCNH2PIK3CAATR
SCHEMBL18631938 0.79 ATM (0.73) ATMKCNH2PIK3CAATR
SCHEMBL17246505 0.79 ATM (0.73) ATMKCNH2MTORPIK3CAATR
SCHEMBL18843777 0.79 ATM (0.73) ATMKCNH2MTORPIK3CAATR
SCHEMBL20006461 0.79 ATM (0.73) ATMKCNH2MTORPIK3CAATR
SCHEMBL23634725 0.76 ATM (0.44) ATMKCNH2MTORPIK3CAATR

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-2021139814-A1 QUINOLINE IMIDAZOLE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-07-15 — — WO disclosed
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