SCHEMBL26619934

SCHEMBL26619934

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.53
▸ SYK P43405 4/20 0.51
▸ STAT6 P42226 1/20 0.48
▸ ALK Q9UM73 5/20 0.48
▸ FLT3 P36888 3/20 0.47
▸ BTK Q06187 3/20 0.47
▸ PDGFRA P16234 3/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ BRD4 O60885 4/20 0.46
▸ FGFR1 P11362 3/20 0.46
▸ WEE1 P30291 4/20 0.45
▸ AURKA O14965 2/20 0.45
▸ DAPK3 O43293 2/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ NTRK1 P04629 2/20 0.45
▸ LCK P06239 2/20 0.45
▸ FYN P06241 2/20 0.45

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
SCHEMBL26620627 0.86 ALK (0.59) EGFRSYKALKBRD4CDK9
SCHEMBL26619865 0.86 ALK (0.59) EGFRSYKALKBRD4CDK9
SCHEMBL26619948 0.86 SYK (0.51) EGFRSYKALKFLT3BTK
SCHEMBL26619800 0.84 EGFR (0.48) EGFRSYKALKFLT3BTK
SCHEMBL26620637 0.84 EGFR (0.48) EGFRSYKALKFLT3BTK
SCHEMBL26619908 0.83 EGFR (0.49) EGFRSYKALKFLT3BTK
SCHEMBL30670358 0.83 EGFR (0.49) EGFRSYKALKFLT3BTK
SCHEMBL30670379 0.82 ALK (0.54) EGFRSYKALKFLT3BTK
SCHEMBL26619892 0.82 ALK (0.54) EGFRSYKALKFLT3BTK
SCHEMBL26619900 0.79 BRD4 (0.45) EGFRSYKALKFLT3BTK

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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