SCHEMBL30149505

SCHEMBL30149505

CC(=O)C#Cc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.57
▸ TRPC4 Q9UBN4 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ TP53 P04637 1/20 0.54
▸ TRPC1 P48995 1/20 0.53
▸ TSHR P16473 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL30149367 0.86 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149323 0.86 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149467 0.85 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149451 0.85 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149527 0.85 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149455 0.83 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149409 0.83 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149486 0.82 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16076221 0.82 MAPT (0.54) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834595 0.81 TRPC5 (0.65) TRPC5TRPC4KCNH2TP53TRPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636831-B Fused pyrimidinediones, their use and pharmaceutical compositions 中国药科大学 2024-11-08 — — CN disclosed
CN-115636831-A Fused pyrimidinediones, their use and pharmaceutical compositions 中国药科大学 2023-01-24 — — CN disclosed
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