SCHEMBL31403284

SCHEMBL31403284

Fc1cc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc(N[C@H]2CCCNC2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.63
▸ FLT3 P36888 2/20 0.56
▸ ULK1 O75385 12/20 0.54
▸ ULK2 Q8IYT8 2/20 0.53

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
SCHEMBL31403274 1.00 CHEK1 (0.63) CHEK1FLT3ULK1ULK2
SCHEMBL31403199 0.90 CHEK1 (0.56) CHEK1FLT3
SCHEMBL31403276 0.80 TYRO3 (0.62) CHEK1FLT3
SCHEMBL17545176 0.75 ULK1 (0.88) FLT3ULK1ULK2
SCHEMBL31666635 0.75 CCNK (0.61) CHEK1FLT3ULK1
SCHEMBL31666582 0.75 CCNK (0.61) CHEK1FLT3ULK1
SCHEMBL30260876 0.73 CHEK1 (0.58) CHEK1FLT3ULK1ULK2
SCHEMBL17545009 0.72 ULK1 (0.70) ULK1ULK2
SCHEMBL30260956 0.72 CCNK (0.57) CHEK1FLT3ULK1
SCHEMBL30261007 0.72 ULK1 (0.65) CHEK1FLT3ULK1ULK2

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-119462522-A N2-3-Fluoro-5-substituted phenyl-2-aminopyrimidine derivative, preparation method and medical application thereof 浙江大学 2025-02-18 — — CN disclosed
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