SCHEMBL28863252

SCHEMBL28863252

Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 16/20 1.00
CDK7 P50613 1/20 0.70
CDK6 Q00534 1/20 0.70
KDR P35968 4/20 0.59
BRAF P15056 1/20 0.59

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
SCHEMBL28863237 0.92 CDK8 (1.00) CDK8CDK7CDK6
SCHEMBL29996238 0.92 CDK8 (1.00) CDK8CDK7CDK6
SCHEMBL28863201 0.88 CDK8 (1.00) CDK8CDK7CDK6KDRBRAF
SCHEMBL28863221 0.84 CDK8 (0.84) CDK8CDK7CDK6
SCHEMBL28863258 0.83 CDK8 (0.79) CDK8CDK7CDK6KDRBRAF
SCHEMBL939171 0.82 CDK8 (0.70) CDK8CDK7CDK6KDRBRAF
SCHEMBL28863266 0.82 CDK8 (1.00) CDK8CDK7CDK6KDRBRAF
SCHEMBL28863205 0.82 CDK8 (0.81) CDK8CDK7CDK6
SCHEMBL28863200 0.81 CDK8 (1.00) CDK8CDK7CDK6
SCHEMBL28863240 0.80 CDK8 (0.77) CDK8CDK7CDK6

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-115197130-B Aryl urea derivative and preparation method and application thereof 安徽医科大学 2023-06-27 CN disclosed
CN-115197130-A Aryl urea derivative and preparation method and application thereof 安徽医科大学 2022-10-18 CN disclosed