SCHEMBL29975234

SCHEMBL29975234

N#Cc1cc(Cl)c2nc(-c3cc(Br)nn3-c3ncccc3Cl)oc(=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ PIM1 P11309 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ C1R P00736 1/20 0.31
▸ PSD A5PKW4 1/20 0.30

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
SCHEMBL465751 0.92 DHODH (0.41) DHODHPIM1CSNK2A2CSNK2BPIM3
SCHEMBL29669886 0.92 DHODH (0.41) DHODHPIM1CSNK2A2CSNK2BPIM3
SCHEMBL958508 0.91 PIM1 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL30749778 0.89 DHODH (0.40) DHODHC1R
SCHEMBL950250 0.89 DHODH (0.40) DHODHC1R
SCHEMBL29974835 0.87 DHODH (0.36) DHODHPIM1CSNK2A2CSNK2BPIM3
SCHEMBL12528630 0.87 DHODH (0.42) DHODHC1R
SCHEMBL950583 0.86 DHODH (0.42) DHODHPIM1C1R
SCHEMBL3328151 0.85 DHODH (0.40) DHODHC1R
SCHEMBL25227437 0.84 DHODH (0.42) DHODHPIM1CSNK2A2CSNK2BPIM3

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-118666829-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2024-09-20 — — CN disclosed
CN-115385903-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2022-11-25 — — CN disclosed
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