SCHEMBL26619800

SCHEMBL26619800

CN(C)c1nc2ccc(Nc3ncc(F)c(Nc4ccc(N5CCN(C(=O)CC(C)(C)C)CC5)cc4)n3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.48
▸ ALK Q9UM73 3/20 0.48
▸ BRD4 O60885 4/20 0.47
▸ SYK P43405 6/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ BTK Q06187 2/20 0.46
▸ CDK2 P24941 3/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CCNT1 O60563 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK9 P50750 2/20 0.42

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
SCHEMBL26619948 0.92 SYK (0.51) EGFRALKBRD4SYKFLT3
SCHEMBL26620637 0.90 EGFR (0.48) EGFRALKBRD4SYKFLT3
SCHEMBL26620627 0.89 ALK (0.59) EGFRALKBRD4SYKCDK2
SCHEMBL26619865 0.89 ALK (0.59) EGFRALKBRD4SYKCDK2
SCHEMBL26619908 0.89 EGFR (0.49) EGFRALKBRD4SYKFLT3
SCHEMBL30670358 0.89 EGFR (0.49) EGFRALKBRD4SYKFLT3
SCHEMBL26619892 0.88 ALK (0.54) EGFRALKBRD4SYKFLT3
SCHEMBL30670379 0.88 ALK (0.54) EGFRALKBRD4SYKFLT3
SCHEMBL26619934 0.84 EGFR (0.53) EGFRALKBRD4SYKFLT3
SCHEMBL26619900 0.82 BRD4 (0.45) EGFRALKBRD4SYKFLT3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO claimed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO claimed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN claimed
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO disclosed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO disclosed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN disclosed
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