SCHEMBL25790981

SCHEMBL25790981

C[C@@H]1COCCN1c1cc(Cl)nc2c1ccn2C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.43
▸ MTOR P42345 4/20 0.42
▸ ATR Q13535 7/20 0.42
▸ ATRIP Q8WXE1 5/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ PDCD1 Q15116 6/20 0.39
▸ CD274 Q9NZQ7 6/20 0.39
▸ CHEK1 O14757 5/20 0.39
▸ PIK3C3 Q8NEB9 3/20 0.39

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
SCHEMBL25246480 0.83 ATR (0.56) MTORATRATRIPPDCD1CD274
SCHEMBL30443862 0.83 ATR (0.56) MTORATRATRIPPDCD1CD274
SCHEMBL25287943 0.83 ATR (0.56) MTORATRATRIPPDCD1CD274
SCHEMBL25791074 0.82 PDE4D (0.39) PDE4DMTORATRATRIPGABRA1
SCHEMBL25080597 0.82 ATR (0.54) MTORATRATRIPPDCD1CD274
SCHEMBL25790244 0.81 ATR (0.54) MTORATRATRIPPDCD1CD274
SCHEMBL25791094 0.81 ATR (0.44) MTORATRATRIPPDCD1CD274
SCHEMBL25790199 0.81 ATR (0.54) MTORATRATRIPPDCD1CD274
SCHEMBL25791095 0.80 ATR (0.42) MTORATRATRIPPDCD1CD274
SCHEMBL25080224 0.80 MTOR (0.48) MTORATRATRIP

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-2023116594-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海安诺达生物科技有限公司 2023-06-29 — — WO disclosed
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