SCHEMBL24993183

SCHEMBL24993183

C=Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(CC)c2)nc1Nc1ccc2c(c1N(C)S(=O)(=O)C(C)C)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.41
▸ EGFR P00533 2/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PAK1 Q13153 1/20 0.36
▸ WEE1 P30291 2/20 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
SCHEMBL24992324 0.92 BRD4 (0.42) BRD4EGFRFLT3BTKPAK1
SCHEMBL24993060 0.91 EGFR (0.47) BRD4EGFR
SCHEMBL24993668 0.88 EGFR (0.51) EGFRBTK
SCHEMBL24993654 0.88 BRD4 (0.42) BRD4EGFRFLT3BTKWEE1
SCHEMBL24993182 0.86 EGFR (0.41) BRD4EGFRFLT3BTKWEE1
SCHEMBL24992287 0.85 CSF1R (0.40) BRD4EGFRCSF1RCDK4CDK6
SCHEMBL24993046 0.83 FLT3 (0.48) BRD4EGFRCSF1RCDK4CDK6
SCHEMBL24993663 0.83 EGFR (0.48) BRD4EGFR
SCHEMBL24992458 0.83 BRD4 (0.54) BRD4EGFR
SCHEMBL24993669 0.82 BRD4 (0.41) BRD4EGFR

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-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 — — WO disclosed
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