SCHEMBL28705103

SCHEMBL28705103

COC(=O)c1cccc(Nc2nc(Nc3ccc(C4CNCCO4)cc3)ncc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK9 P50750 1/20 0.49

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
SCHEMBL28691434 0.92 — —
SCHEMBL28876159 0.90 — —
SCHEMBL28702063 0.89 PTK2 (0.52) CCNT1CCNE1CDK2CDK9
SCHEMBL27631645 0.84 SYK (0.67) —
SCHEMBL28876160 0.83 — —
SCHEMBL28707614 0.81 PTK2 (0.54) —
SCHEMBL655507 0.81 SYK (0.67) CCNT1CCNE1CDK2CDK9
SCHEMBL28876166 0.78 FLT3 (0.55) —
SCHEMBL29389624 0.78 SYK (0.70) CCNT1CCNE1CDK2CDK9
SCHEMBL28691450 0.78 SYK (0.70) CCNT1CCNE1CDK2CDK9

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-114230524-A (5-fluoro-2-anilinopyrimidin-4-yl) amino-N-hydroxybenzamide derivative and preparation method and application thereof 南通大学 2022-03-25 — — CN disclosed
CN-114031559-A Aryl nitrogen-containing heterocycle modified 5-fluoro-pyrimidinediamine benzoate and preparation method and application thereof 南通大学 2022-02-11 — — CN disclosed
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