SCHEMBL29092460

SCHEMBL29092460

COC(=O)c1cc(C)[nH]c1-c1cccnc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ KDM4E B2RXH2 7/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ BDKRB1 P46663 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL30556715 0.81 MAP2K1 (0.46) MAP2K1KDM4EMAPTTDP1MEN1
SCHEMBL29092827 0.81 MAP2K1 (0.46) MAP2K1KDM4EMAPTTDP1MEN1
SCHEMBL29093339 0.78 ABL1 (0.42) MAP2K1KDM4EMAPTTDP1MEN1
SCHEMBL30556734 0.78 ABL1 (0.42) MAP2K1KDM4EMAPTTDP1MEN1
SCHEMBL30556711 0.77 MAP2K1 (0.41) MAP2K1KDM4EMAPTTDP1MEN1
SCHEMBL29092645 0.77 MAP2K1 (0.41) MAP2K1KDM4EMAPTTDP1MEN1
SCHEMBL3465036 0.76 PLCG1 (0.56) PLCG1MAP2K1KDM4ETDP1BDKRB1
SCHEMBL29621712 0.74 PLCG1 (0.46) PLCG1MAP2K1KDM4EMAPTTDP1
SCHEMBL15997703 0.72 PLCG1 (0.49) PLCG1KDM4EMAPTBDKRB1MEN1
SCHEMBL29092953 0.70 DHODH (0.49) KDM4ETDP1MEN1KMT2AALDH1A1

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
CN-109956929-B Heterocyclic derivative, preparation method, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-09-19 — — CN disclosed
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